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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | ACR | P10323 | 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 | |
|---|---|---|---|---|
| SCHEMBL1287318 | 0.83 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL1742655 | 0.83 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL5407485 | 0.82 | CYP1A2 (0.48) | ALDH1A1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL5403997 | 0.82 | CYP1A2 (0.48) | ALDH1A1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL1287195 | 0.81 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL10658368 | 0.80 | CYP2D6 (0.38) | ALDH1A1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL1517741 | 0.80 | CYP1A2 (0.43) | ALDH1A1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL8695673 | 0.80 | MMP13 (0.40) | ALDH1A1MEN1KMT2ACYP1A2CYP2C9 | |
| SCHEMBL4446893 | 0.79 | CYP1A2 (0.42) | ALDH1A1MEN1KMT2ACYP1A2CYP2C9 | |
| Alanine SCHEMBL3254315 | 0.79 | SLC1A3 (0.51) | ALDH1A1CYP1A2CYP2C9CYP2D6MAPK1 |
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-5061722-A | Hypotensive agents; e.g. ramipril | HOECHST AG (DE) | 1991-10-29 | — | — | US | disclosed |
| US-5053519-A | Hypotensive agents; diuretics; vasodilation | HOECHST AG (DE) | 1991-10-01 | — | — | US | disclosed |
| US-4879403-A | AMINATION, CRYSTALLIZATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-11-07 | — | — | US | disclosed |
| US-4727160-A | HYPOTENSIVE INTERMEDIATES | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-02-23 | — | — | US | disclosed |