Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.40 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.40 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.40 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 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 | |
|---|---|---|---|---|
| SCHEMBL17452875 | 0.89 | ROCK2 (0.53) | EPHX2DRD2HTR2ADRD3CYP2D6 | |
| SCHEMBL19902490 | 0.79 | HPGDS (0.48) | ROCK2ROCK1ADRA2AADRA1AHPGDS | |
| SCHEMBL19902362 | 0.78 | ROCK2 (0.42) | ROCK2ROCK1HPGDS | |
| SCHEMBL19902710 | 0.78 | GPR183 (0.44) | ROCK2HPGDS | |
| SCHEMBL19902506 | 0.77 | USP30 (0.52) | ROCK2ROCK1HPGDS | |
| SCHEMBL19902627 | 0.76 | PARP1 (0.54) | DRD2HTR2ADRD3CYP2D6ROCK2 | |
| SCHEMBL19902479 | 0.75 | KHK (0.48) | HTR2ACYP2D6ROCK2 | |
| SCHEMBL19902605 | 0.74 | CCNC (0.55) | ROCK2ROCK1PRMT5WDR77 | |
| SCHEMBL19902709 | 0.74 | PARP1 (0.50) | PRKAA2ROCK2ROCK1 | |
| SCHEMBL19902390 | 0.74 | CSF1R (0.54) | — |
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 |