Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 10/20 | 0.39 |
| ▸ | CDK2 | P24941 | 10/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 10/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 6/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL9533873 | 0.74 | PLK1 (0.54) | CCNA2CDK2CCNA1GRM4PLK1 | |
| SCHEMBL9218737 | 0.70 | DRD4 (0.48) | PLK3NPC1RAB9A | |
| SCHEMBL6164696 | 0.67 | HTT (0.61) | PARP1PLK1CSNK2A1PLK3HTT | |
| SCHEMBL9538373 | 0.65 | PLK1 (0.46) | CCNA2CDK2CCNA1GRM4PLK1 | |
| SCHEMBL1395016 | 0.63 | GRM4 (0.41) | CCNA2CDK2CCNA1GRM4PLK1 | |
| SCHEMBL21678821 | 0.63 | HTT (0.38) | PARP1HTT | |
| SCHEMBL13159948 | 0.62 | KDM4E (0.46) | PARP1PLK1CSNK2A1PLK3HTT | |
| SCHEMBL9533151 | 0.62 | AURKA (0.31) | CDK2CSNK2A1 | |
| Water SCHEMBL6036229 | 0.62 | GRM4 (0.40) | CCNA2CDK2CCNA1GRM4PLK1 | |
| SCHEMBL9535827 | 0.61 | HTT (0.43) | PARP1PLK1CSNK2A1PLK3HTT |
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-0276834-B1 | Cycloalkane [1,2-c:4,3-c'] dipyrazoles | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-02 | — | — | EP | disclosed |
| US-4734429-A | Cycloalkane[1,2-c:4,3-c']dipyrazoles and their use as bronchodilators | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-03-29 | — | — | US | disclosed |