Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | MEP1B | Q16820 | 4/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 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 | |
|---|---|---|---|---|
| SCHEMBL19954257 | 0.88 | CYP2D6 (0.44) | MRGPRX4EPHX2NR1H4PARP1PPARA | |
| SCHEMBL19954264 | 0.82 | PARP1 (0.45) | S1PR3PARP1ROCK2ROCK1 | |
| SCHEMBL17790220 | 0.82 | MRGPRX4 (0.47) | MRGPRX4EPHX2NR1H4PARP1PPARA | |
| SCHEMBL15592319 | 0.79 | AKR1C2 (0.48) | MRGPRX4DHODHPARP1ADRB3 | |
| SCHEMBL19954181 | 0.78 | ROCK2 (0.48) | DHODHEPHX2NR1H4S1PR3ROCK2 | |
| SCHEMBL19954154 | 0.78 | NR1H4 (0.49) | MRGPRX4DHODHEPHX2NR1H4PARP1 | |
| SCHEMBL6071818 | 0.78 | S1PR3 (0.46) | S1PR3PARP1 | |
| SCHEMBL11888130 | 0.76 | METAP2 (0.51) | MRGPRX4PARP1PPARA | |
| SCHEMBL19477788 | 0.76 | ERCC1 (0.38) | PARP1MEP1B | |
| SCHEMBL27428920 | 0.75 | MMP13 (0.47) | PARP1 |
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 |