Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.37 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | SCN4A | P35499 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3768522 | 0.79 | SIGMAR1 (0.40) | MAPK8SIGMAR1MAOAMAPK1 | |
| SCHEMBL3775342 | 0.79 | SIGMAR1 (0.40) | MAPK8SIGMAR1MAOAMAPK1 | |
| SCHEMBL2004850 | 0.79 | SGMS2 (0.55) | SGMS2BRD4MAPTMAPK1TDP1 | |
| SCHEMBL1960297 | 0.73 | HTR2A (0.51) | MAPK8CYP1A2MAPT | |
| SCHEMBL13122661 | 0.69 | MEN1 (0.49) | CDK5ROCK1CLK4MAPK8SGMS2 | |
| SCHEMBL18368384 | 0.66 | CYP1A2 (0.41) | CDK8CDK5ROCK1CLK4MAPK8 | |
| SCHEMBL4754591 | 0.66 | TAAR1 (0.48) | SLC6A2TAAR1SIGMAR1MAOASLC6A4 | |
| SCHEMBL3426844 | 0.66 | IDO1 (0.44) | SLC6A2TAAR1SIGMAR1MAOASLC6A4 | |
| SCHEMBL13701011 | 0.66 | CYP1A2 (0.43) | CDK8CDK5ROCK1CLK4MAPK8 | |
| SCHEMBL3443437 | 0.66 | CYP1A2 (0.43) | CDK5ROCK1CLK4MAPK8CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010106333-A1 | COMPOUNDS | MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) | 2010-09-23 | — | — | WO | disclosed |