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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 9/20 | 0.37 |
| ▸ | BMP1 | P13497 | 5/20 | 0.37 |
| ▸ | MMP1 | P03956 | 4/20 | 0.35 |
| ▸ | MMP3 | P08254 | 4/20 | 0.35 |
| ▸ | MMP9 | P14780 | 4/20 | 0.34 |
| ▸ | MMP13 | P45452 | 3/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.34 |
| ▸ | MMP7 | P09237 | 1/20 | 0.34 |
| ▸ | MMP10 | P09238 | 1/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL6981697 | 0.89 | MMP1 (0.43) | MMP2MMP1MMP3MMP9MMP13 | |
| SCHEMBL6981862 | 0.87 | BMP1 (0.38) | APPMMP2BMP1MMP1MMP3 | |
| SCHEMBL6978664 | 0.86 | KCNA5 (0.38) | APPMMP2BMP1MMP1MMP3 | |
| SCHEMBL6987039 | 0.85 | APP (0.36) | APPMMP2BMP1MMP1MMP3 | |
| SCHEMBL6983357 | 0.85 | APP (0.37) | APPMMP2BMP1MMP1MMP3 | |
| SCHEMBL6986712 | 0.80 | BMP1 (0.37) | APPMMP2BMP1MMP1MMP3 | |
| SCHEMBL6981709 | 0.80 | BMP1 (0.38) | APPMMP2BMP1MMP1MMP3 | |
| SCHEMBL6982620 | 0.80 | BMP1 (0.39) | APPMMP2BMP1MMP1MMP9 | |
| SCHEMBL6989602 | 0.79 | KCNA5 (0.36) | APPMMP2BMP1MMP1MMP3 | |
| SCHEMBL6989548 | 0.79 | BMP1 (0.35) | APPMMP2BMP1MMP1MMP3 |
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 |