Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | DHFR | P00374 | 2/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 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 | |
|---|---|---|---|---|
| SCHEMBL6973717 | 0.91 | LMNA (0.35) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL14001863 | 0.81 | HSP90B1 (0.31) | — | |
| SCHEMBL6964698 | 0.81 | LMNA (0.36) | CYP1A2CYP3A4CYP2C9CYP2C19HCAR2 | |
| SCHEMBL6971891 | 0.80 | ALDH1A1 (0.37) | DHODHHCAR2MMP13ALDH1A1TDP1 | |
| SCHEMBL5029294 | 0.79 | DHFR (0.41) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL6973531 | 0.79 | CNR2 (0.39) | LMNARAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL6971468 | 0.78 | HRH4 (0.36) | ALDH1A1TDP1REN | |
| SCHEMBL6973430 | 0.78 | USP2 (0.33) | CYP2C9LMNAALDH1A1KCNA5 | |
| SCHEMBL6559757 | 0.78 | TDP1 (0.36) | DHFRKDM4ETDP1 | |
| SCHEMBL6964520 | 0.77 | DHODH (0.34) | CYP3A4DHFRDHODHCA1CA2 |
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 5 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 | claimed |
| 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 |