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 | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 6/20 | 0.39 |
| ▸ | MMP13 | P45452 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 5/20 | 0.35 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 6/20 | 0.35 |
| ▸ | MMP9 | P14780 | 4/20 | 0.35 |
| ▸ | MMP3 | P08254 | 4/20 | 0.34 |
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.34 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | MMP7 | P09237 | 1/20 | 0.33 |
| ▸ | MMP10 | P09238 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 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 | |
|---|---|---|---|---|
| SCHEMBL7838468 | 1.00 | MMP1 (0.39) | MMP1MMP13APPCTSKMMP8 | |
| SCHEMBL6221237 | 0.86 | MMP1 (0.42) | MMP1MMP13APPMMP8FKBP1A | |
| SCHEMBL6221234 | 0.86 | MMP1 (0.42) | MMP1MMP13APPMMP8FKBP1A | |
| SCHEMBL7955777 | 0.86 | MMP1 (0.45) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL7839022 | 0.86 | MMP1 (0.45) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL7846148 | 0.85 | MMP1 (0.41) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL7846151 | 0.85 | MMP1 (0.41) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL7946524 | 0.85 | MMP1 (0.43) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL7946527 | 0.85 | MMP1 (0.43) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL7847049 | 0.85 | MMP1 (0.44) | MMP1MMP13APPMMP8MMP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6281363-B1 | ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-08-28 | — | — | US | disclosed |