Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.43 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 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 | |
|---|---|---|---|---|
| SCHEMBL1534320 | 0.88 | CYP3A4 (0.42) | CYP3A4CYP2C8MAPK14PLA2G2APLA2G4A | |
| SCHEMBL1534546 | 0.83 | PLA2G2A (0.42) | CYP3A4CYP2C8MAPK14PLA2G2APLA2G4A | |
| SCHEMBL14118764 | 0.83 | TACR3 (0.42) | CYP3A4CYP2C8MAPK14PLA2G2APLA2G4A | |
| SCHEMBL1534389 | 0.82 | MAPK14 (0.47) | MAPK14PLA2G2APLA2G4ATNKS | |
| SCHEMBL1534850 | 0.81 | AKT1 (0.42) | CYP3A4CYP2C8MAPK14PLA2G2APLA2G4A | |
| SCHEMBL1900240 | 0.80 | VNN1 (0.41) | CYP3A4CYP2C8PLA2G2APLA2G4AKDM4E | |
| SCHEMBL14119098 | 0.80 | IP6K1 (0.43) | CYP3A4CYP2C8PLA2G2APLA2G4AKDM4E | |
| SCHEMBL1534621 | 0.79 | AKT1 (0.42) | CYP3A4CYP2C8MAPK14PLA2G2APLA2G4A | |
| SCHEMBL1534823 | 0.78 | TACR3 (0.37) | CYP3A4MAPK14PLA2G2APLA2G4AKDM4E | |
| SCHEMBL1534471 | 0.78 | AKT1 (0.45) | CYP3A4CYP2C8PLA2G2APLA2G4AKDM4E |
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-2473495-A1 | PHARMACEUTICAL COMPOUNDS | Almac Discovery Limited (GB) | 2012-07-11 | — | — | EP | disclosed |
| WO-2011033265-A1 | PHARMACEUTICAL COMPOUNDS | ALMAC DISCOVERY LIMITED (GB) | 2011-03-24 | — | — | WO | disclosed |