Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD4 | P21917 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 10/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17413481 | 0.85 | DRD2 (0.45) | DRD2DRD4DRD3CCNE1CDK2 | |
| SCHEMBL29587840 | 0.82 | DAO (0.44) | DRD2DRD4DRD3CCNE1CDK2 | |
| SCHEMBL17407617 | 0.82 | DRD2 (0.43) | DRD2DRD4DRD3CCNE1CDK2 | |
| SCHEMBL4734771 | 0.81 | DRD2 (0.47) | DRD2DRD4DRD3CCNE1CDK2 | |
| SCHEMBL1939638 | 0.79 | DRD2 (0.50) | DRD2DRD4DRD3CCNE1CDK2 | |
| SCHEMBL27769213 | 0.78 | DAO (0.40) | DRD2DRD4DRD3CCNE1CDK2 | |
| SCHEMBL27769232 | 0.78 | DAO (0.40) | DRD2DRD4DRD3CCNE1CDK2 | |
| SCHEMBL7411386 | 0.76 | DRD2 (0.49) | DRD2DRD4DRD3CCNE1CDK2 | |
| SCHEMBL2176426 | 0.76 | LOXL2 (0.52) | DRD2DRD4DRD3CCNE1CDK2 | |
| SCHEMBL3886864 | 0.75 | DPP4 (0.57) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9828345-B2 | Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-11-28 | — | — | US | disclosed |