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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.31 |
| ▸ | WNT3 | P56703 | 1/20 | 0.30 |
| ▸ | SFRP1 | Q8N474 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.30 |
| ▸ | ANXA2 | P07355 | 2/20 | 0.30 |
| ▸ | S100A10 | P60903 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6985861 | 0.91 | HMOX2 (0.35) | ADAM17 | |
| SCHEMBL6978187 | 0.87 | ADAM17 (0.39) | ADAM17ALDH1A1GAAHTTANXA2 | |
| SCHEMBL6985224 | 0.85 | ADAM17 (0.36) | ADAM17ALDH1A1GAAHTT | |
| SCHEMBL6983200 | 0.84 | ADAM17 (0.37) | ADAM17ALDH1A1GAAHTT | |
| SCHEMBL6979918 | 0.84 | ADAM17 (0.37) | ADAM17ALDH1A1GAAHTT | |
| SCHEMBL7818583 | 0.83 | ADAM17 (0.33) | ADAM17 | |
| SCHEMBL6984950 | 0.83 | ADAM17 (0.35) | ADAM17 | |
| SCHEMBL7815655 | 0.82 | ADAM17 (0.36) | ADAM17ALDH1A1GAAHTT | |
| SCHEMBL6987124 | 0.81 | ADAM17 (0.36) | ADAM17ALDH1A1LMNA | |
| SCHEMBL6980731 | 0.81 | AGTR2 (0.34) | ALDH1A1AGTR2KCNA5 |
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 |