Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.35 |
| ▸ | MALT1 | Q9UDY8 | 2/20 | 0.34 |
| ▸ | CDK8 | P49336 | 2/20 | 0.34 |
| ▸ | CLK2 | P49760 | 1/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.34 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.34 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 2/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 3/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4240870 | 0.95 | ROCK1 (0.37) | ROCK1MALT1CDK8CLK2ACVR1 | |
| SCHEMBL4245169 | 0.87 | MALT1 (0.37) | ROCK1MALT1CDK8CCNCCYP3A4 | |
| SCHEMBL4245425 | 0.86 | TNFSF11 (0.39) | MALT1CDK8CLK2CLK4CCNC | |
| Hydrochloric Acid SCHEMBL4240291 | 0.86 | MALT1 (0.36) | ROCK1MALT1CDK8CCNCCYP3A4 | |
| SCHEMBL4240982 | 0.86 | ROCK1 (0.34) | ROCK1MALT1CDK8CLK2ACVR1 | |
| Hydrochloric Acid SCHEMBL4237204 | 0.86 | TNFSF11 (0.39) | MALT1CDK8CLK2CLK4CCNC | |
| SCHEMBL4242997 | 0.85 | MALT1 (0.37) | ROCK1MALT1CYP3A4RORC | |
| Trifluoroacetic Acid SCHEMBL4241090 | 0.85 | NTSR1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL4236327 | 0.84 | MALT1 (0.36) | ROCK1MALT1CYP3A4RORC | |
| Trifluoroacetic Acid SCHEMBL4247336 | 0.84 | L3MBTL1 (0.42) | L3MBTL1ROCK1MALT1CLK2CLK4 |
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-7638521-B2 | 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2009-12-29 | — | — | US | disclosed |