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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 4/20 | 0.37 |
| ▸ | MMP13 | P45452 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7104781 | 0.98 | ADAM17 (0.37) | ADAM17MMP13MMP2MMP9ALDH1A1 | |
| SCHEMBL7100344 | 0.96 | ADAM17 (0.38) | ADAM17MMP13MMP2MMP9ALDH1A1 | |
| SCHEMBL7104651 | 0.92 | ADAM17 (0.42) | ADAM17MMP13MMP2MMP9MMP1 | |
| SCHEMBL7104768 | 0.92 | ADAM17 (0.37) | ADAM17MMP1 | |
| SCHEMBL7102058 | 0.91 | ADAM17 (0.36) | ADAM17 | |
| SCHEMBL7103553 | 0.91 | ADAM17 (0.42) | ADAM17MMP13MMP2MMP9MMP1 | |
| SCHEMBL7104723 | 0.88 | ADAM17 (0.44) | ADAM17MMP13MMP2MMP9MMP1 | |
| SCHEMBL6940221 | 0.87 | ADAM17 (0.39) | ADAM17MMP13MMP2MMP9ALDH1A1 | |
| SCHEMBL6978187 | 0.83 | ADAM17 (0.39) | ADAM17MMP13MMP2MMP9ALDH1A1 | |
| SCHEMBL7100580 | 0.82 | CTSB (0.35) | ADAM17MMP13MMP2MMP9MMP1 |
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-1133471-B1 | HYDRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-09-17 | — | — | EP | disclosed |
| US-6265446-B1 | ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES | HOFFMANN-LA ROCHE INC.. | 2001-07-24 | — | — | US | disclosed |