Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.53 |
| ▸ | DHPS | P49366 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.49 |
| ▸ | AHR | P35869 | 2/20 | 0.49 |
| ▸ | NR1I3 | Q14994 | 2/20 | 0.49 |
| ▸ | VDR | P11473 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL869338 | 0.82 | CYP1A1 (0.49) | CYP1A2CYP1A1CYP1B1DHPSADORA2A | |
| SCHEMBL16517456 | 0.81 | MTNR1A (0.51) | CYP1A2CYP3A4CYP2C9CYP2B6AHR | |
| SCHEMBL15877057 | 0.81 | DHPS (0.54) | DHPSADORA2AADORA1KDM4EMEN1 | |
| SCHEMBL14474404 | 0.80 | ABCG2 (0.62) | CYP1A2CYP1A1CYP1B1CYP3A4CYP2C9 | |
| SCHEMBL31061566 | 0.79 | CYP1A1 (0.68) | CYP1A2CYP1A1CYP1B1DHPSADORA2A | |
| SCHEMBL28196625 | 0.79 | CYP1A2 (0.72) | CYP1A2CYP1A1CYP1B1CYP3A4CYP2C9 | |
| SCHEMBL5569024 | 0.78 | CYP1A1 (0.47) | CYP1A2CYP1A1CYP1B1DHPSAHR | |
| SCHEMBL4390601 | 0.78 | CYP1A2 (0.54) | CYP1A2CYP1A1CYP1B1CYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL14110587 | 0.77 | CYP1A2 (0.56) | CYP1A2CYP1A1CYP1B1CYP3A4CYP2C9 | |
| SCHEMBL16517348 | 0.77 | DYRK1A (0.52) | CYP1A2CYP3A4CYP2C9CYP2B6AHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2220042-A1 | NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES | 4SC AG (DE) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009063054-A1 | NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES | 4SC AG (DE) | 2009-05-22 | — | — | WO | disclosed |