Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Trifluoroacetic Acid. 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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 4/20 | 0.39 |
| ▸ | ACE | P12821 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 4/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.40 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.39 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL11876510 | 0.89 | TSHR (0.53) | CYP3A4MAPTCYP2C9TSHRRAB9A | |
| SCHEMBL11876500 | 0.89 | TSHR (0.53) | CYP3A4MAPTCYP2C9TSHRRAB9A | |
| SCHEMBL11873800 | 0.87 | CYP3A4 (0.46) | CYP3A4MAPTCYP2C9TSHRRAB9A | |
| SCHEMBL11876073 | 0.87 | ITGB3 (0.45) | ACECYP3A4MAPTCYP2C9TSHR | |
| SCHEMBL11882206 | 0.82 | CYP3A4 (0.43) | CYP3A4MAPTCYP2C9TSHRRAB9A | |
| SCHEMBL11875888 | 0.77 | KMT2A (0.46) | TSHRFKBP1AITGB3ITGA2B | |
| SCHEMBL11063150 | 0.76 | CTRB1 (0.57) | CYP3A4MAPTCYP2C9TSHRRAB9A | |
| SCHEMBL11063141 | 0.76 | CTRB1 (0.57) | CYP3A4MAPTCYP2C9TSHRRAB9A | |
| SCHEMBL29388202 | 0.75 | PREP (0.51) | ACECYP3A4MAPTCYP2C9TSHR | |
| SCHEMBL2226082 | 0.75 | DPP4 (0.46) | F2FKBP1APRSS1PRSS2PRSS3 |
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 |
|---|---|---|---|---|---|---|---|
| US-3966701-A | ANTICOAGULANTS | THE DOW CHEMICAL COMPANY (US) | 1976-06-29 | — | — | US | claimed |
| US-3966701-A | ANTICOAGULANTS | THE DOW CHEMICAL COMPANY (US) | 1976-06-29 | — | — | US | disclosed |
| US-3966701-A | ANTICOAGULANTS | THE DOW CHEMICAL COMPANY (US) | 1976-06-29 | — | — | US | disclosed |