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 | |
|---|---|---|---|---|
| ▸ | BMP1 | P13497 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 7/20 | 0.33 |
| ▸ | MMP2 | P08253 | 6/20 | 0.33 |
| ▸ | MMP1 | P03956 | 5/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6980436 | 0.85 | MMP8 (0.36) | MMP3MMP2MMP1RAB9AMMP8 | |
| SCHEMBL6980958 | 0.83 | MMP1 (0.35) | MMP3MMP2MMP1METAP2MMP8 | |
| SCHEMBL6982579 | 0.78 | ALDH1A1 (0.34) | MMP3MMP2MMP1TSHRHTT | |
| SCHEMBL6982395 | 0.78 | MMP3 (0.35) | BMP1MMP3MMP2MMP1HDAC3 | |
| SCHEMBL6987719 | 0.76 | ADAM17 (0.34) | MMP2MMP1TSHRHTTHSD17B10 | |
| SCHEMBL6983861 | 0.75 | ADAM17 (0.35) | MMP2MMP1HTTMMP8MMP13 | |
| SCHEMBL6980682 | 0.75 | ADAM17 (0.35) | MMP2MMP1HTTMMP8MMP13 | |
| SCHEMBL6982424 | 0.75 | BCHE (0.30) | — | |
| SCHEMBL6983143 | 0.74 | ALDH1A1 (0.34) | MMP3MMP2MMP1TSHRRAB9A | |
| SCHEMBL6978689 | 0.74 | ADAM17 (0.35) | MMP2HTTMMP13 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1089964-B1 | HYDRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-10-29 | — | — | EP | disclosed |