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 | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7143462 | 0.84 | GRIK1 (0.45) | L3MBTL1CYP2D6ALDH1A1GRIK1TSHR | |
| SCHEMBL11302318 | 0.83 | CYP2D6 (0.36) | L3MBTL1CASP3CYP2D6ALDH1A1GPR119 | |
| SCHEMBL9257074 | 0.78 | CASP3 (0.33) | CASP3CYP2D6ALDH1A1GPR119MMP13 | |
| SCHEMBL2499429 | 0.73 | CYP2D6 (0.41) | L3MBTL1CASP3CYP2D6ALDH1A1GPR119 | |
| SCHEMBL2498309 | 0.71 | CYP2D6 (0.41) | CASP3CYP2D6ALDH1A1GPR119MMP13 | |
| SCHEMBL4824258 | 0.71 | CYP2D6 (0.51) | L3MBTL1CYP2D6ALDH1A1LMNAMEN1 | |
| SCHEMBL7013916 | 0.70 | CYP2D6 (0.38) | CYP2D6ALDH1A1MEN1KMT2AUSP2 | |
| SCHEMBL28679839 | 0.70 | CTSC (0.42) | CYP2D6ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL4826991 | 0.68 | CYP2D6 (0.51) | L3MBTL1CYP2D6ALDH1A1LMNAMEN1 | |
| SCHEMBL6250751 | 0.68 | TSHR (0.43) | CYP2D6ALDH1A1LMNAMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5401766-A | Hypotensive agents with vasodilation | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-03-28 | — | — | US | disclosed |
| US-5162362-A | Hypotensive agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |
| US-5158959-A | Treatment of hypertension | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-10-27 | — | — | US | disclosed |
| US-4595675-A | Hypotensive agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-06-17 | — | — | US | disclosed |