Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29386517 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP2C9ALDH1A1KMT2ALMNA | |
| SCHEMBL29508373 | 0.88 | CYP1A2 (0.45) | CYP1A2CYP2C9ALDH1A1KMT2ALMNA | |
| SCHEMBL6263955 | 0.85 | PLA2G2C (0.43) | CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL4466455 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP2C9ALDH1A1KMT2ALMNA | |
| SCHEMBL2084991 | 0.83 | LMNA (0.60) | CYP1A2CYP2C9ALDH1A1KMT2ALMNA | |
| SCHEMBL4692008 | 0.83 | LMNA (0.60) | CYP1A2CYP2C9ALDH1A1KMT2ALMNA | |
| SCHEMBL1517939 | 0.83 | LMNA (0.60) | CYP1A2CYP2C9ALDH1A1KMT2ALMNA | |
| SCHEMBL1517741 | 0.81 | CYP1A2 (0.43) | CYP1A2CYP2C9ALDH1A1KMT2ALMNA | |
| SCHEMBL10811687 | 0.81 | CYP1A2 (0.41) | CYP1A2CYP2C9ALDH1A1KMT2ALMNA | |
| SCHEMBL5407485 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2C9ALDH1A1KMT2ALMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0761668-B1 | Non-classical antifolates | UNIV PRINCETON (US) | 2002-01-30 | — | — | EP | disclosed |
| US-5786358-A | INHIBITORS OF GLYCINAMIDE RIBONUCLEOTIDE FORMYL TRANSFERASE | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1998-07-28 | — | — | US | disclosed |
| EP-0761668-A2 | Non-classical antifolates | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 1997-03-12 | — | — | EP | disclosed |