Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | DRD5 | P21918 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL306148 | 0.92 | ROCK2 (0.72) | ROCK2CYP3A4ABCG2ABCB1DRD2 | |
| SCHEMBL307703 | 0.89 | ROCK2 (0.57) | ROCK2CYP3A4ABCG2ABCB1ALDH1A1 | |
| SCHEMBL308954 | 0.87 | ROCK2 (0.62) | ROCK2CYP3A4ABCG2ABCB1ALDH1A1 | |
| SCHEMBL307835 | 0.86 | ROCK2 (0.73) | ROCK2CYP3A4ABCG2ABCB1DRD2 | |
| SCHEMBL307750 | 0.83 | ROCK2 (0.75) | ROCK2CYP3A4ABCG2ABCB1PRKG1 | |
| SCHEMBL306999 | 0.82 | ROCK2 (0.71) | ROCK2CYP3A4ABCG2ABCB1DRD2 | |
| SCHEMBL14135092 | 0.80 | ROCK2 (0.74) | ROCK2CYP3A4ABCG2ABCB1DRD2 | |
| SCHEMBL306530 | 0.80 | ROCK2 (0.70) | ROCK2CYP3A4ABCG2ABCB1DRD2 | |
| SCHEMBL307753 | 0.79 | ROCK2 (0.75) | ROCK2CYP3A4ABCG2ABCB1DRD2 | |
| SCHEMBL307344 | 0.79 | ROCK2 (0.75) | ROCK2CYP3A4ABCG2ABCB1PRKG1 |
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-8093266-B2 | Rho kinase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-10 | — | — | US | claimed |