Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 6/20 | 0.36 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.34 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | MARK3 | P27448 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | FLT4 | P35916 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4236197 | 0.94 | ROCK1 (0.38) | L3MBTL1RORCMALT1ROCK1CYP2C9 | |
| SCHEMBL4240984 | 0.86 | NCF1 (0.43) | L3MBTL1RORCCYP2C9CYP3A4ADORA2A | |
| SCHEMBL4247339 | 0.86 | MALT1 (0.35) | L3MBTL1RORCMALT1ROCK1CYP2C9 | |
| Hydrochloric Acid SCHEMBL4239416 | 0.85 | NCF1 (0.43) | L3MBTL1RORCCYP2C9CYP3A4ADORA2A | |
| SCHEMBL4245432 | 0.84 | RORC (0.36) | L3MBTL1RORCROCK1CYP2C9CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL4240979 | 0.84 | L3MBTL1 (0.35) | L3MBTL1RORCMALT1ROCK1CYP2C9 | |
| SCHEMBL4240873 | 0.83 | PIK3R2 (0.47) | RORCCYP2C9CYP3A4PIK3R2CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL4241090 | 0.81 | NTSR1 (0.43) | — | |
| SCHEMBL4247704 | 0.79 | HTR3A (0.38) | MALT1ROCK1HTR3A | |
| SCHEMBL4243769 | 0.79 | CD38 (0.40) | RORCCYP2C9CYP3A4ADORA2AADORA1 |
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 |