Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 2/20 | 0.41 |
| ▸ | CCR5 | P51681 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.30 |
| ▸ | TOP2A | P11388 | 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 | |
|---|---|---|---|---|
| SCHEMBL8571054 | 0.79 | CYP1A2 (0.36) | ALDH1A1TRPV1TOP2A | |
| SCHEMBL7852268 | 0.78 | CAPN1 (0.47) | HTT | |
| SCHEMBL21668150 | 0.70 | ADORA3 (0.33) | — | |
| SCHEMBL6963010 | 0.69 | TYMS (0.36) | HTTALDH1A1TRPV1 | |
| SCHEMBL5751774 | 0.69 | CCR2 (0.44) | CCR2CCR5HTTPDE5APDE9A | |
| SCHEMBL6973911 | 0.68 | CCR2 (0.41) | CCR2CCR5PDE5APDE9APDE1A | |
| SCHEMBL11118144 | 0.66 | LTB4R (0.41) | HTTALDH1A1 | |
| SCHEMBL8099901 | 0.62 | CCR2 (0.41) | CCR2CCR5 | |
| SCHEMBL6969892 | 0.62 | CCR2 (0.39) | CCR2CCR5 | |
| SCHEMBL27967679 | 0.61 | SLC9A1 (0.37) | HTTPDE5APDE9APDE1APDE1B |
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 |