Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17452766 | 0.85 | ROCK2 (0.59) | SMN1; SMN2CYP1A2ROCK2ROCK1POLB | |
| SCHEMBL19902689 | 0.84 | ROCK2 (0.46) | SMN1; SMN2CYP1A2ROCK2ROCK1ALDH1A1 | |
| SCHEMBL19902452 | 0.83 | SMN1; SMN2 (0.45) | SMN1; SMN2CYP1A2ROCK2ROCK1POLB | |
| SCHEMBL19902393 | 0.81 | ROCK2 (0.41) | SMN1; SMN2CYP1A2ROCK2ROCK1POLB | |
| SCHEMBL19902295 | 0.81 | JAK1 (0.49) | CYP1A2ROCK2ROCK1PARP1ALDH1A1 | |
| SCHEMBL19902293 | 0.81 | JAK1 (0.49) | CYP1A2ROCK2ROCK1PARP1ALDH1A1 | |
| SCHEMBL19902296 | 0.81 | JAK1 (0.49) | CYP1A2ROCK2ROCK1PARP1ALDH1A1 | |
| SCHEMBL1789261 | 0.80 | ATM (0.50) | ROCK2ROCK1POLBPARP1ALDH1A1 | |
| SCHEMBL19902318 | 0.80 | ROCK1 (0.55) | CYP1A2ROCK2ROCK1PARP1ALDH1A1 | |
| SCHEMBL19902546 | 0.78 | ROCK2 (0.61) | ROCK2ROCK1POLBNPC1RAB9A |
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 |