Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | WDR5 | P61964 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.36 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.36 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.36 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.36 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.36 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17790230 | 0.86 | ROCK2 (0.50) | ROCK2PPARGEPHX2NR1H4MMP13 | |
| SCHEMBL19954264 | 0.84 | PARP1 (0.45) | ROCK2S1PR3MMP13WDR5TSHR | |
| SCHEMBL19954153 | 0.78 | MRGPRX4 (0.44) | ROCK2S1PR3EPHX2NR1H4DHODH | |
| SCHEMBL17788673 | 0.77 | ROCK2 (0.50) | ROCK2PPARGNR1H4MMP13 | |
| SCHEMBL24239866 | 0.70 | NR1H4 (0.38) | EPHX2NR1H4 | |
| SCHEMBL21534773 | 0.70 | S1PR3 (0.36) | PPARGS1PR3EPHX2NR1H4 | |
| SCHEMBL6071818 | 0.70 | S1PR3 (0.46) | S1PR3HTTL3MBTL1 | |
| SCHEMBL17790225 | 0.69 | PARP1 (0.47) | ROCK2PPARGEPHX2NR1H4MMP13 | |
| SCHEMBL28713540 | 0.68 | L3MBTL1 (0.48) | PPARGEPHX2NR1H4MMP13WDR5 | |
| SCHEMBL25097418 | 0.68 | CNR2 (0.38) | ROCK2PPARGEPHX2NR1H4DHODH |
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 |