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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 5/20 | 0.42 |
| ▸ | MMP13 | P45452 | 4/20 | 0.42 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 8/20 | 0.39 |
| ▸ | MMP3 | P08254 | 6/20 | 0.39 |
| ▸ | PDE4A | P27815 | 3/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.39 |
| ▸ | MMP8 | P22894 | 3/20 | 0.37 |
| ▸ | FCER2 | P06734 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6983149 | 0.88 | MMP2 (0.37) | MMP1MMP13MMP2MMP3PDE4A | |
| SCHEMBL6982654 | 0.87 | MMP1 (0.52) | MMP1MMP13ADAM17MMP2MMP3 | |
| SCHEMBL6989548 | 0.84 | BMP1 (0.35) | MMP1MMP13ADAM17MMP2MMP3 | |
| SCHEMBL6983204 | 0.83 | ADAM17 (0.61) | MMP1MMP13ADAM17MMP2MMP3 | |
| SCHEMBL6981697 | 0.81 | MMP1 (0.43) | MMP1MMP13ADAM17MMP2MMP3 | |
| SCHEMBL7101372 | 0.81 | ADAM17 (0.43) | MMP1MMP13ADAM17MMP2MMP3 | |
| SCHEMBL7102327 | 0.81 | ADAM17 (0.44) | MMP1MMP13ADAM17MMP2MMP3 | |
| SCHEMBL6987639 | 0.81 | ADAM17 (0.53) | MMP1MMP13ADAM17MMP2MMP3 | |
| SCHEMBL6984096 | 0.80 | MMP1 (0.38) | MMP1MMP13ADAM17MMP2MMP3 | |
| SCHEMBL6983271 | 0.79 | ADAM17 (0.55) | MMP1MMP13ADAM17MMP2MMP3 |
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 |