Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | WDR5 | P61964 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.39 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.39 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.39 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.39 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.39 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.39 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.39 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19954181 | 0.84 | ROCK2 (0.48) | ROCK2S1PR3TSHRHTTL3MBTL1 | |
| SCHEMBL17790225 | 0.84 | PARP1 (0.47) | PARP1ROCK2ROCK1L3MBTL1WDR5 | |
| SCHEMBL19954153 | 0.82 | MRGPRX4 (0.44) | PARP1ROCK2ROCK1S1PR3 | |
| SCHEMBL17689588 | 0.82 | PARP1 (0.47) | PARP1ROCK2ROCK1TSHRHTT | |
| SCHEMBL18972056 | 0.76 | MEN1 (0.51) | LMNA | |
| SCHEMBL13753059 | 0.76 | CES2 (0.55) | PARP1TSHRHTTL3MBTL1CA2 | |
| SCHEMBL19954190 | 0.74 | MEP1B (0.51) | PARP1ROCK2ROCK1LMNAMMP13 | |
| SCHEMBL19954257 | 0.74 | CYP2D6 (0.44) | PARP1ROCK2ROCK1HTTLMNA | |
| SCHEMBL12900909 | 0.74 | LMNA (0.49) | TSHRHTTL3MBTL1BRD4LMNA | |
| SCHEMBL6071818 | 0.73 | S1PR3 (0.46) | PARP1S1PR3HTTL3MBTL1 |
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 |