Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6974320 | 0.87 | MAPK14 (0.34) | CYP3A4ROCK2MAPK13MAPK12MAPK11 | |
| SCHEMBL7082933 | 0.87 | CSNK2A2 (0.38) | CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6973795 | 0.86 | GSK3B (0.32) | CYP3A4CYP1A2CYP2C9CYP2C19CDK5 | |
| SCHEMBL6968179 | 0.85 | CYP1A2 (0.33) | CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6974054 | 0.85 | GSK3B (0.32) | CYP3A4CYP1A2CYP2C9CYP2C19ROCK2 | |
| SCHEMBL7079125 | 0.84 | ALDH1A1 (0.36) | SLC6A4CYP3A4ALDH1A1HDAC6ROCK2 | |
| SCHEMBL6967049 | 0.84 | LMNA (0.37) | SLC6A4ALDH1A1TRPA1HDAC6KMT2A | |
| SCHEMBL6972450 | 0.83 | CDK5 (0.32) | SLC6A4CYP3A4ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL6968078 | 0.83 | ALOX5 (0.38) | CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6973960 | 0.82 | IDO1 (0.38) | SLC6A4ALDH1A1TRPA1KMT2A |
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-0786455-B1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| US-6147097-A | METHOD FOR TREATING AIDS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| US-5910506-A | IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC | SHIONOGI & CO., LTD. (JP) | 1999-06-08 | — | — | US | disclosed |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |