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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STS | P08842 | 4/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | TACR3 | P29371 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1971737 | 1.00 | STS (0.41) | STSMMP13GPR119EPHX2TP53 | |
| SCHEMBL30693142 | 0.94 | STS (0.42) | STSMMP13GPR119EPHX2TP53 | |
| SCHEMBL30693128 | 0.94 | STS (0.42) | STSMMP13GPR119EPHX2TP53 | |
| SCHEMBL1968337 | 0.94 | STS (0.42) | STSMMP13GPR119EPHX2TP53 | |
| SCHEMBL12435411 | 0.91 | STS (0.43) | STSGPR119MC4RKMT2ATACR3 | |
| SCHEMBL30693162 | 0.90 | GPR119 (0.47) | STSMMP13GPR119TP53KMT2A | |
| SCHEMBL1971128 | 0.90 | GPR119 (0.47) | STSMMP13GPR119TP53KMT2A | |
| SCHEMBL1970746 | 0.89 | STS (0.51) | STSMMP13GPR119TP53LMNA | |
| SCHEMBL30693148 | 0.89 | STS (0.51) | STSMMP13GPR119TP53LMNA | |
| SCHEMBL4154947 | 0.87 | MAPT (0.39) | TP53LMNAMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |