Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.37 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.37 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.37 |
| ▸ | CCR3 | P51677 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29283139 | 0.82 | ABCB1 (0.39) | ABCB1 | |
| SCHEMBL18640236 | 0.80 | TACR1 (0.49) | TACR1 | |
| SCHEMBL582167 | 0.79 | LTA4H (0.38) | HTTCCR3ABCB1 | |
| SCHEMBL24774805 | 0.78 | DAGLA (0.43) | — | |
| SCHEMBL18640256 | 0.78 | TACR1 (0.47) | TACR1PRMT3CARM1PRMT6PRMT1 | |
| SCHEMBL28625821 | 0.77 | DAGLA (0.47) | — | |
| SCHEMBL29283140 | 0.76 | NPBWR1 (0.34) | HTT | |
| SCHEMBL3652328 | 0.76 | TACR1 (0.50) | TACR1CCR3 | |
| SCHEMBL8925928 | 0.76 | TACR1 (0.50) | TACR1CCR3 | |
| SCHEMBL3271210 | 0.76 | TACR1 (0.47) | TACR1PRMT3CARM1PRMT6PRMT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1651612-A1 | 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | Astex Therapeutics Limited (GB) | 2006-05-03 | — | — | EP | disclosed |
| WO-2005012256-A1 | 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-02-10 | — | — | WO | disclosed |