Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.38 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.38 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.38 |
| ▸ | DNMT3A | Q9Y6K1 | 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 | |
|---|---|---|---|---|
| SCHEMBL19954234 | 0.85 | ROCK2 (0.44) | ROCK2ROCK1PARP1ADORA3 | |
| SCHEMBL17790220 | 0.82 | MRGPRX4 (0.47) | NR1H4EPHX2MRGPRX4PPARAROCK2 | |
| SCHEMBL6625230 | 0.79 | NR1H4 (0.50) | NR1H4EPHX2MRGPRX4PPARAROCK2 | |
| SCHEMBL19954153 | 0.78 | MRGPRX4 (0.44) | NR1H4EPHX2MRGPRX4PPARADHODH | |
| SCHEMBL13117452 | 0.78 | RIPK1 (0.41) | NR1H4EPHX2MMP13 | |
| SCHEMBL14966524 | 0.77 | NR1H4 (0.48) | NR1H4EPHX2MRGPRX4PPARAROCK2 | |
| SCHEMBL11888130 | 0.76 | METAP2 (0.51) | MRGPRX4PPARAPARP1KLKB1CTSB | |
| SCHEMBL19954257 | 0.76 | CYP2D6 (0.44) | NR1H4EPHX2MRGPRX4PPARAROCK2 | |
| SCHEMBL16355198 | 0.75 | MMP13 (0.50) | MMP13MMP9 | |
| SCHEMBL14670236 | 0.74 | MRGPRX4 (0.51) | MRGPRX4PPARAPARP1CYP4F2CYP4A11 |
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 |