Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6962837 | 0.91 | MEN1 (0.31) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL6972884 | 0.90 | LMNA (0.36) | CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL6962728 | 0.89 | CYP1A2 (0.40) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL7083502 | 0.88 | KDM4E (0.33) | — | |
| SCHEMBL7079379 | 0.87 | MEN1 (0.33) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL6973990 | 0.86 | MEN1 (0.34) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL6966247 | 0.84 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL6968333 | 0.84 | — | — | |
| SCHEMBL6969319 | 0.83 | — | — | |
| SCHEMBL6961581 | 0.83 | SMN1; SMN2 (0.32) | — |
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 3 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 |