Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.59 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.59 |
| ▸ | HTR1A | P08908 | 2/20 | 0.56 |
| ▸ | DRD2 | P14416 | 4/20 | 0.55 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL17790224 | 0.89 | ROCK2 (0.61) | ROCK2ROCK1HTR1ADRD2ABCG2 | |
| SCHEMBL18901194 | 0.88 | ROCK2 (0.60) | ROCK2ROCK1HTR1ADRD2ABCG2 | |
| SCHEMBL13005433 | 0.83 | HTR1A (0.53) | ROCK2ROCK1HTR1ADRD2ABCG2 | |
| SCHEMBL13005448 | 0.83 | HTR1A (0.53) | ROCK2ROCK1HTR1ADRD2ABCG2 | |
| SCHEMBL13060652 | 0.82 | DRD2 (0.60) | ROCK2ROCK1HTR1ADRD2ABCG2 | |
| SCHEMBL13060677 | 0.82 | DRD2 (0.60) | ROCK2ROCK1HTR1ADRD2ABCG2 | |
| SCHEMBL4572920 | 0.81 | DRD2 (0.60) | HTR1ADRD2ABCG2HSD17B10KMT2A | |
| SCHEMBL19954249 | 0.81 | MEN1 (0.54) | ROCK2ROCK1KMT2A | |
| SCHEMBL4341169 | 0.81 | MCHR1 (0.69) | DRD2ABCG2HSD17B10KMT2A | |
| SCHEMBL3659779 | 0.80 | DRD2 (0.67) | DRD2ABCG2KMT2A |
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-9914740-B2 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-13 | — | — | US | disclosed |