Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.45 |
| ▸ | MAP2K3 | P46734 | 2/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL7499354 | 0.86 | PTGS1 (0.45) | ROCK2SSTR4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23587117 | 0.85 | CYP1A2 (0.42) | ROCK2SSTR4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL19127956 | 0.81 | KDM4E (0.53) | ROCK2SSTR4CYP1A2HSD17B10PTGS1 | |
| SCHEMBL25375090 | 0.80 | KMT2A (0.47) | MAP2K3MAPK14SSTR4PTGS1PTGS2 | |
| SCHEMBL20674161 | 0.78 | MAP2K3 (0.46) | MAP2K3MAPK14HSD17B10PTGS1PTGS2 | |
| SCHEMBL19795725 | 0.76 | MAP2K3 (0.51) | MAP2K3MAPK14HSD17B10PTGS1PTGS2 | |
| SCHEMBL20674538 | 0.76 | HSD17B10 (0.39) | SSTR4CYP1A2CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4319097 | 0.75 | CNR2 (0.61) | ROCK2SSTR4CYP2D6 | |
| SCHEMBL4319099 | 0.75 | CNR2 (0.61) | ROCK2SSTR4CYP2D6 | |
| SCHEMBL16255987 | 0.74 | SSTR4 (0.43) | ROCK2MAP2K3SSTR4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3652168-B1 | 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-06-30 | — | — | EP | disclosed |