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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 1/20 | 0.54 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 3/20 | 0.32 |
| ▸ | MMP3 | P08254 | 2/20 | 0.32 |
| ▸ | MMP7 | P09237 | 2/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6985273 | 0.91 | ADAM17 (0.59) | ADAM17CYP3A4CYP2D6MMP2MMP3 | |
| SCHEMBL6981665 | 0.89 | ADAM17 (0.54) | ADAM17ALDH1A1MMP2MMP3MMP7 | |
| SCHEMBL6981505 | 0.88 | ADAM17 (0.53) | ADAM17ALDH1A1CYP3A4CYP2D6MMP2 | |
| SCHEMBL6983202 | 0.88 | ADAM17 (0.53) | ADAM17ALDH1A1MMP2MMP3MMP7 | |
| SCHEMBL6986326 | 0.87 | ADAM17 (0.57) | ADAM17ALDH1A1MMP2MMP3MMP7 | |
| SCHEMBL6978196 | 0.87 | ADAM17 (0.62) | ADAM17MMP2MMP3MMP7MMP1 | |
| SCHEMBL6981438 | 0.86 | ADAM17 (0.56) | ADAM17MMP2MMP3MMP7MMP1 | |
| SCHEMBL6987095 | 0.86 | ADAM17 (0.56) | ADAM17ALDH1A1MMP2MMP3MMP1 | |
| SCHEMBL6982562 | 0.86 | ADAM17 (0.56) | ADAM17ALDH1A1MMP2MMP1LMNA | |
| SCHEMBL6986081 | 0.85 | ADAM17 (0.58) | ADAM17MMP2MMP3MMP7MMP1 |
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 |