Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19902690 | 0.84 | SMN1; SMN2 (0.44) | ROCK2ROCK1NPC1RAB9ACYP1A2 | |
| SCHEMBL1789261 | 0.83 | ATM (0.50) | ROCK2ROCK1NPC1RAB9AALDH1A1 | |
| SCHEMBL19902318 | 0.83 | ROCK1 (0.55) | ROCK2ROCK1NPC1RAB9ACYP1A2 | |
| SCHEMBL19902393 | 0.81 | ROCK2 (0.41) | ROCK2ROCK1NPC1RAB9ACYP1A2 | |
| SCHEMBL19902293 | 0.81 | JAK1 (0.49) | ROCK2ROCK1CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL19902295 | 0.81 | JAK1 (0.49) | ROCK2ROCK1CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL19902546 | 0.81 | ROCK2 (0.61) | ROCK2ROCK1NPC1RAB9A | |
| SCHEMBL19902296 | 0.81 | JAK1 (0.49) | ROCK2ROCK1CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL19902449 | 0.79 | ROCK1 (0.59) | ROCK2ROCK1NPC1RAB9ASMYD3 | |
| SCHEMBL19902600 | 0.79 | RAB9A (0.48) | ROCK2ROCK1NPC1RAB9AALDH1A1 |
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-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |