Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | DRD4 | P21917 | 3/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9219786 | 0.98 | PLK1 (0.42) | PLK1CSNK2A1PLK3DRD2DRD4 | |
| SCHEMBL9211170 | 0.77 | PLK1 (0.44) | PLK1CSNK2A1PLK3DRD2DRD4 | |
| SCHEMBL9535703 | 0.75 | PLK1 (0.61) | PLK1CSNK2A1PLK3DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL9534437 | 0.73 | PLK1 (0.59) | PLK1CSNK2A1PLK3DRD2DRD4 | |
| SCHEMBL9211095 | 0.72 | PLK1 (0.49) | PLK1CSNK2A1PLK3DRD2DRD4 | |
| SCHEMBL9215010 | 0.71 | PLK1 (0.41) | PLK1CSNK2A1PLK3DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL9216167 | 0.70 | PLK1 (0.47) | PLK1CSNK2A1PLK3DRD2DRD4 | |
| SCHEMBL23889226 | 0.70 | SETD7 (0.45) | DRD2DRD4 | |
| SCHEMBL9533936 | 0.68 | PLK1 (0.74) | PLK1CSNK2A1PLK3DRD2DRD4 | |
| SCHEMBL22980483 | 0.67 | PLK1 (0.79) | PLK1CSNK2A1PLK3DRD2HIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0276833-B1 | Dipyrazoles useful as bronchodilators | MERRELL DOW PHARMA (US) | 1995-02-15 | — | — | EP | claimed |
| EP-0276833-A2 | Dipyrazoles useful as bronchodilators | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-08-03 | — | — | EP | claimed |
| US-4734430-A | Dipyrazoles and their use as bronchodilators | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-03-29 | — | — | US | claimed |