Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8398420 | 0.90 | TUBB1 (0.49) | TUBB1ALDH1A1KDM4ETSHRTDP1 | |
| SCHEMBL31455942 | 0.87 | ALDH1A1 (0.53) | PPARGPPARACDK1ALDH1A1KDM4E | |
| SCHEMBL2541124 | 0.86 | HTT (0.49) | PPARGPPARACDK1ALDH1A1KDM4E | |
| SCHEMBL9681414 | 0.83 | ALDH1A1 (0.52) | PPARGPPARATUBB1ALDH1A1KDM4E | |
| SCHEMBL29951235 | 0.83 | ALDH1A1 (0.52) | PPARGPPARATUBB1ALDH1A1KDM4E | |
| SCHEMBL27002142 | 0.83 | PPARG (0.57) | PPARGPPARACDK1ALDH1A1KDM4E | |
| SCHEMBL19521917 | 0.82 | KDM4E (0.64) | TUBB1ALDH1A1KDM4ETSHRTDP1 | |
| SCHEMBL20730189 | 0.82 | ERN1 (0.48) | TUBB1CDK1ALDH1A1KDM4ETSHR | |
| SCHEMBL29119944 | 0.82 | TUBB1 (0.48) | TUBB1CDK1ALDH1A1KDM4ETSHR | |
| SCHEMBL26109028 | 0.82 | TUBB1 (0.48) | TUBB1CDK1ALDH1A1KDM4ETSHR |
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-0858444-A4 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-12-01 | — | — | EP | disclosed |
| EP-0858444-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5750549-A | ANTIINFLAMMATORY AGENTS OR ANALGESICS | MERCK & CO., INC. (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |