Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.63 |
| ▸ | MMP13 | P45452 | 5/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | PRKACA | P17612 | 1/20 | 0.53 |
| ▸ | GSK3A | P49840 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | PRKX | P51817 | 1/20 | 0.53 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL17783413 | 0.88 | ROCK2 (0.82) | ROCK2MMP13CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18901302 | 0.84 | ROCK2 (0.82) | ROCK2MMP13CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7101052 | 0.80 | MMP13 (0.61) | ROCK2MMP13LMNAHPGDMAPT | |
| SCHEMBL2463183 | 0.78 | MMP13 (0.61) | ROCK2MMP13SMN1; SMN2LMNAHPGD | |
| SCHEMBL5332068 | 0.78 | MMP13 (1.00) | ROCK2MMP13SMN1; SMN2LMNAHPGD | |
| SCHEMBL9416645 | 0.78 | MMP13 (0.94) | ROCK2MMP13SMN1; SMN2LMNAHPGD | |
| SCHEMBL31061610 | 0.78 | MMP13 (1.00) | ROCK2MMP13SMN1; SMN2LMNAHPGD | |
| SCHEMBL17783468 | 0.78 | ROCK2 (1.00) | ROCK2MMP13CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL34468703 | 0.78 | KDM4E (0.60) | ROCK2MMP13SMN1; SMN2HPGDMAPT | |
| SCHEMBL7134254 | 0.77 | MMP13 (0.86) | ROCK2MMP13SMN1; SMN2LMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |