Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 4/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 2/20 | 0.31 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL6966853 | 0.89 | TDP1 (0.33) | ADRB2 | |
| SCHEMBL6975421 | 0.89 | ADRB2 (0.38) | ADRB2CCR2CCR5 | |
| SCHEMBL6973238 | 0.88 | CYP1A2 (0.33) | — | |
| SCHEMBL7087539 | 0.87 | ADRB2 (0.34) | ADRB2ADRB1TYMS | |
| Carbamic Acid SCHEMBL4573817 | 0.85 | CDC7 (0.33) | — | |
| SCHEMBL6966271 | 0.84 | ATP4A (0.32) | — | |
| SCHEMBL7078733 | 0.84 | HSP90B1 (0.32) | TYMSDHFR | |
| SCHEMBL6969573 | 0.83 | MAPT (0.31) | — | |
| SCHEMBL6973659 | 0.82 | MEN1 (0.34) | — | |
| SCHEMBL6961954 | 0.82 | HSP90B1 (0.31) | — |
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 |