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 | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 3/20 | 0.57 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
| ▸ | PSMB10 | P40306 | 1/20 | 0.36 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | MMP13 | P45452 | 3/20 | 0.36 |
| ▸ | MMP1 | P03956 | 3/20 | 0.36 |
| ▸ | MMP3 | P08254 | 3/20 | 0.36 |
| ▸ | MMP8 | P22894 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ANXA2 | P07355 | 3/20 | 0.34 |
| ▸ | S100A10 | P60903 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MMP7 | P09237 | 2/20 | 0.33 |
| ▸ | MMP10 | P09238 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL6987095 | 0.99 | ADAM17 (0.56) | ADAM17APPPSMB8PSMB5PSMB10 | |
| SCHEMBL6982562 | 0.95 | ADAM17 (0.56) | ADAM17APPMMP2GAAMMP13 | |
| SCHEMBL6984347 | 0.94 | ADAM17 (0.55) | ADAM17PSMB8PSMB5PSMB10PSMB2 | |
| SCHEMBL6978196 | 0.89 | ADAM17 (0.62) | ADAM17MMP2MMP13MMP1MMP3 | |
| SCHEMBL6986624 | 0.88 | ADAM17 (0.60) | ADAM17MMP2MMP13MMP1MMP3 | |
| SCHEMBL6980338 | 0.87 | ADAM17 (0.54) | ADAM17MMP2MMP1MMP3ALDH1A1 | |
| SCHEMBL6981665 | 0.87 | ADAM17 (0.54) | ADAM17APPMMP2GAAMMP13 | |
| SCHEMBL6981505 | 0.86 | ADAM17 (0.53) | ADAM17MMP2MMP13MMP1MMP3 | |
| SCHEMBL6983202 | 0.86 | ADAM17 (0.53) | ADAM17APPMMP2GAAMMP13 | |
| SCHEMBL6985230 | 0.86 | ADAM17 (0.58) | ADAM17APPMMP2MMP13MMP1 |
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 |