Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL6969992 | 1.00 | KDM4E (0.39) | KDM4ECYP1A2CYP3A4GAACYP2D6 | |
| SCHEMBL6966166 | 0.88 | KDM4E (0.36) | KDM4E | |
| SCHEMBL6966170 | 0.88 | KDM4E (0.36) | KDM4E | |
| SCHEMBL6961068 | 0.86 | KDM4E (0.39) | KDM4ECYP1A2CYP3A4GAACYP2C9 | |
| SCHEMBL6961065 | 0.86 | KDM4E (0.39) | KDM4ECYP1A2CYP3A4GAACYP2C9 | |
| SCHEMBL6970820 | 0.86 | DHODH (0.33) | KDM4EHAO1 | |
| SCHEMBL6970816 | 0.86 | DHODH (0.33) | KDM4EHAO1 | |
| SCHEMBL7078798 | 0.86 | KDM4E (0.47) | KDM4EGAANPSR1MAOAMAOB | |
| SCHEMBL7078796 | 0.86 | KDM4E (0.47) | KDM4EGAANPSR1MAOAMAOB | |
| SCHEMBL6965624 | 0.85 | NPSR1 (0.36) | CYP1A2CYP3A4GAACYP2D6CYP2C9 |
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 |