Focused On-demand Library for Proton-coupled folate transporter

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.







Alternative names:

Heme carrier protein 1; PCFT/HCP1; Solute carrier family 46 member 1

Alternative UPACC:

Q96NT5; Q1HE20; Q86T92; Q8TEG3; Q96FL0


The Proton-coupled Folate Transporter (PCFT/HCP1), encoded by the gene with accession number Q96NT5, is pivotal in mediating folate absorption in the intestine and its transport across the blood-brain barrier. This protein operates using a proton gradient, facilitating the intake of folates at acidic pH levels. It also transports antifolate drugs like methotrexate, crucial for treating cancer and autoimmune diseases, and serves as a heme carrier in various tissues.

Therapeutic significance:

Hereditary folate malabsorption, a rare autosomal recessive disorder, is directly linked to mutations affecting PCFT/HCP1. This condition leads to severe folate deficiency, resulting in anemia, immune deficiencies, and neurological issues. Early diagnosis and folate administration can mitigate, if not prevent, fatal outcomes and irreversible neurological damage, highlighting the critical therapeutic importance of understanding and targeting PCFT/HCP1.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.
No Spam. Cancel Anytime.