Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | TDO2 | P48775 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL8581474 | 1.00 | CYP3A4 (0.34) | CYP3A4CES2CES1MEN1ALDH1A1 | |
| SCHEMBL8579039 | 1.00 | CYP3A4 (0.34) | CYP3A4CES2CES1MEN1ALDH1A1 | |
| SCHEMBL8580203 | 0.80 | CES2 (0.41) | CYP3A4CES2CES1MC4ROPRM1 | |
| SCHEMBL9005063 | 0.80 | CES2 (0.41) | CYP3A4CES2CES1MC4ROPRM1 | |
| SCHEMBL8580398 | 0.80 | CES2 (0.41) | CYP3A4CES2CES1MC4ROPRM1 | |
| SCHEMBL11623766 | 0.80 | HTR2C (0.40) | MAPT | |
| SCHEMBL11621510 | 0.78 | PRCP (0.35) | MEN1ALDH1A1KMT2A | |
| SCHEMBL5731352 | 0.77 | CES2 (0.41) | CYP3A4CES2CES1MEN1ALDH1A1 | |
| SCHEMBL11621257 | 0.73 | DRD2 (0.38) | ALDH1A1OPRM1OPRK1GAA | |
| SCHEMBL11619912 | 0.73 | NPC1 (0.33) | MEN1ALDH1A1MAPTKMT2A |
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-0809640-A1 | AZOLE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996025410-A1 | AZOLE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-08-22 | — | — | WO | disclosed |