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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 known ✓ | P00742 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | PRCP | P42785 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | TMPRSS11D | O60235 | 2/20 | 0.43 |
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 | 1.00 | TSHR (0.53) | TSHRCYP3A4MAPTCYP2C9RAB9A | |
| SCHEMBL11873800 | 0.94 | CYP3A4 (0.46) | TSHRCYP3A4MAPTCYP2C9RAB9A | |
| Trifluoroacetic Acid SCHEMBL11875170 | 0.89 | ACE (0.43) | TSHRCYP3A4MAPTCYP2C9RAB9A | |
| SCHEMBL11882206 | 0.88 | CYP3A4 (0.43) | TSHRCYP3A4MAPTCYP2C9RAB9A | |
| SCHEMBL11876073 | 0.88 | ITGB3 (0.45) | TSHRCYP3A4MAPTCYP2C9RAB9A | |
| SCHEMBL11063141 | 0.86 | CTRB1 (0.57) | TSHRCYP3A4MAPTCYP2C9RAB9A | |
| SCHEMBL11063150 | 0.86 | CTRB1 (0.57) | TSHRCYP3A4MAPTCYP2C9RAB9A | |
| SCHEMBL11875888 | 0.83 | KMT2A (0.46) | TSHRKMT2AMEN1FKBP1ANPSR1 | |
| SCHEMBL18831932 | 0.80 | KDM1A (0.51) | TSHRCYP3A4MAPTCYP2C9RAB9A | |
| SCHEMBL18831935 | 0.80 | KDM1A (0.51) | TSHRCYP3A4MAPTCYP2C9RAB9A |
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 |