Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.38 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | RARA | P10276 | 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 | |
|---|---|---|---|---|
| SCHEMBL19954153 | 0.88 | MRGPRX4 (0.44) | MRGPRX4EPHX2NR1H4PPARAPARP1 | |
| SCHEMBL17790220 | 0.80 | MRGPRX4 (0.47) | CYP2C19MRGPRX4EPHX2NR1H4PPARA | |
| SCHEMBL11888130 | 0.77 | METAP2 (0.51) | MRGPRX4PPARAPARP1ALDH1A1LMNA | |
| SCHEMBL15592319 | 0.76 | AKR1C2 (0.48) | CYP2C9MRGPRX4PARP1LMNARARB | |
| SCHEMBL19954154 | 0.76 | NR1H4 (0.49) | MRGPRX4EPHX2NR1H4PPARAPARP1 | |
| SCHEMBL5398835 | 0.74 | KAT8 (0.51) | MRGPRX4PPARAPARP1KDM4ELMNA | |
| SCHEMBL19954264 | 0.74 | PARP1 (0.45) | HTTPARP1ROCK2ROCK1LMNA | |
| SCHEMBL10943350 | 0.73 | SIGMAR1 (0.54) | CYP2D6CYP2C9CYP2C19HTTALDH1A1 | |
| SCHEMBL19091135 | 0.73 | MEP1B (0.68) | MRGPRX4NR1H4MEP1B | |
| SCHEMBL14670236 | 0.72 | MRGPRX4 (0.51) | MRGPRX4PPARAPARP1KDM4EALDH1A1 |
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 |