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 | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 5/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 5/20 | 0.38 |
| ▸ | MMP2 | P08253 | 6/20 | 0.38 |
| ▸ | MMP9 | P14780 | 3/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.38 |
| ▸ | MMP3 | P08254 | 5/20 | 0.37 |
| ▸ | PDE4A | P27815 | 2/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | MMP7 | P09237 | 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 | |
|---|---|---|---|---|
| SCHEMBL6221234 | 1.00 | MMP1 (0.42) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL6221547 | 0.91 | MMP1 (0.48) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL6221555 | 0.91 | MMP1 (0.48) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL7955754 | 0.86 | MMP1 (0.39) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL7838468 | 0.86 | MMP1 (0.39) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL7840632 | 0.82 | MMP1 (0.47) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL7955728 | 0.82 | MMP1 (0.47) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL7839520 | 0.82 | MMP1 (0.47) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL27449166 | 0.82 | MMP1 (0.47) | MMP1MMP13APPMMP8MMP2 | |
| SCHEMBL7839141 | 0.80 | MMP1 (0.46) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1137640-B1 | CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS | HOFFMANN LA ROCHE (CH) | 2005-09-21 | — | — | EP | disclosed |
| EP-1137640-A1 | CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-04 | — | — | EP | disclosed |
| US-6281363-B1 | ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-08-28 | — | — | US | disclosed |
| WO-2000035885-A1 | CYCLIC HYDRAZINE DERIVATIVES AS TNF-ALPHA INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-22 | — | — | WO | disclosed |