Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pyrimethamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 6/20 | 0.71 |
| ▸ | HEXB | P07686 | 6/20 | 0.71 |
| ▸ | DHFR | P00374 | 3/20 | 0.71 |
| ▸ | MEN1 | O00255 | 1/20 | 0.71 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | HTR1A | P08908 | 1/20 | 0.71 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | HTR2A | P28223 | 1/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.71 |
| ▸ | HTR2B | P41595 | 1/20 | 0.71 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.71 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.71 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Pyrimethamine SCHEMBL3671657 | 0.92 | HEXA (0.73) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL29381161 | 0.84 | HEXA (1.00) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL15516970 | 0.84 | HEXA (1.00) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL25129 | 0.84 | HEXA (1.00) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL30439479 | 0.84 | HEXA (0.81) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL21382838 | 0.84 | HEXA (0.81) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL8086889 | 0.83 | HEXA (0.97) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL28861797 | 0.83 | HEXA (0.97) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL11709944 | 0.83 | HEXA (0.97) | HEXAHEXBDHFRMEN1SLC22A1 | |
| Pyrimethamine SCHEMBL28347069 | 0.83 | HEXA (0.97) | HEXAHEXBDHFRMEN1SLC22A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030017985-A1 | Molecules that influence pathogen resistance | THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARMENT OF HEALTH AND HUMAN SERVICES | 2003-01-23 | — | — | US | disclosed |
| EP-1246636-A2 | MOLECULES THAT INFLUENCE PATHOGEN RESISTANCE | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2002-10-09 | — | — | EP | disclosed |
| WO-2001049835-A2 | MOLECULES THAT INFLUENCE PATHOGEN RESISTANCE | THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2001-07-12 | — | — | WO | disclosed |
| EP-0785924-B1 | BIS-2-AMINOPYRIDINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR CONTROLLING PARASITIC INFECTIONS | VIRBAC SA (FR) | 2000-05-03 | — | — | EP | disclosed |
| EP-0785924-A1 | BIS-2-AMINOPYRIDINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR CONTROLLING PARASITIC INFECTIONS | VIRBAC S.A. (FR) | 1997-07-30 | — | — | EP | disclosed |
| WO-1996011910-A1 | BIS-2-AMINOPYRIDINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR CONTROLLING PARASITIC INFECTIONS | VIRBAC (FR) | 1996-04-25 | — | — | WO | disclosed |
| EP-0289110-A2 | Conjugate malaria vaccine | Swiss Serum and Vaccine Institute Berne (CH) | 1988-11-02 | — | — | EP | disclosed |