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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BMP1 | P13497 | 6/20 | 0.39 |
| ▸ | MMP2 | P08253 | 4/20 | 0.36 |
| ▸ | MMP9 | P14780 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6981862 | 0.93 | BMP1 (0.38) | BMP1MMP2MMP9CYP3A4CYP2D6 | |
| SCHEMBL6986712 | 0.92 | BMP1 (0.37) | BMP1MMP2MMP9CYP3A4CYP2D6 | |
| SCHEMBL6987397 | 0.83 | BMP1 (0.37) | BMP1MMP2MMP9MMP13MMP8 | |
| SCHEMBL6987387 | 0.83 | BMP1 (0.36) | BMP1MMP2MMP9CYP2D6MMP13 | |
| SCHEMBL6989548 | 0.81 | BMP1 (0.35) | BMP1MMP2MMP9MMP13MMP8 | |
| SCHEMBL6986076 | 0.81 | ADAM17 (0.54) | MMP2MMP9MMP13MMP8ALDH1A1 | |
| SCHEMBL6978664 | 0.81 | KCNA5 (0.38) | BMP1MMP2MMP9MMP13ALDH1A1 | |
| SCHEMBL6982401 | 0.80 | APP (0.37) | BMP1MMP2MMP9MMP13MMP8 | |
| SCHEMBL6989602 | 0.80 | KCNA5 (0.36) | BMP1MMP2MMP9MMP13MMP8 | |
| SCHEMBL6983357 | 0.79 | APP (0.37) | BMP1MMP2MMP9MMP13APP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1089964-B1 | HYDRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-10-29 | — | — | EP | disclosed |
| US-6239151-B1 | TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, | HOFFMANN-LA ROCHE INC. | 2001-05-29 | — | — | US | disclosed |