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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 5/20 | 0.50 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.50 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.49 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27570933 | 1.00 | MMP9 (0.53) | MMP9ALDH1A1KMT2ATDP1POLB | |
| SCHEMBL27570934 | 1.00 | MMP9 (0.53) | MMP9ALDH1A1KMT2ATDP1POLB | |
| SCHEMBL7341311 | 0.94 | TDP1 (0.49) | MMP9ALDH1A1KMT2ATDP1POLB | |
| SCHEMBL7341305 | 0.94 | TDP1 (0.49) | MMP9ALDH1A1KMT2ATDP1POLB | |
| SCHEMBL4857947 | 0.88 | L3MBTL1 (0.58) | MMP9ALDH1A1KMT2ATDP1ATM | |
| SCHEMBL17824375 | 0.88 | L3MBTL1 (0.58) | MMP9ALDH1A1KMT2ATDP1ATM | |
| SCHEMBL4857954 | 0.88 | L3MBTL1 (0.58) | MMP9ALDH1A1KMT2ATDP1ATM | |
| SCHEMBL20789084 | 0.88 | KMT2A (0.50) | MMP9ALDH1A1KMT2ATDP1POLB | |
| SCHEMBL19384930 | 0.88 | KMT2A (0.50) | MMP9ALDH1A1KMT2ATDP1POLB | |
| SCHEMBL31634249 | 0.88 | KMT2A (0.50) | MMP9ALDH1A1KMT2AMMP2ATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0587767-A1 | HYDROXYAZIDO DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS | SRI INTERNATIONAL (US) | 1994-03-23 | — | — | EP | disclosed |
| US-5268361-A | Containing amide groups | SRI INTERNATIONAL (US) | 1993-12-07 | — | — | US | disclosed |
| WO-1992021696-A1 | HYDROXYAZIDO DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS | SRI INTERNATIONAL (US) | 1992-12-10 | — | — | WO | disclosed |