Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | TACR3 | P29371 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1534534 | 0.88 | AKT1 (0.45) | PLA2G2APLA2G4AKDM4EALDH1A1CYP3A4 | |
| SCHEMBL1534518 | 0.83 | CYP3A4 (0.46) | PLA2G2APLA2G4AKDM4EALDH1A1CYP3A4 | |
| SCHEMBL1535049 | 0.83 | PLA2G2A (0.46) | PLA2G2APLA2G4AKDM4EALDH1A1CYP3A4 | |
| SCHEMBL1534926 | 0.82 | KDM4E (0.41) | PLA2G2APLA2G4AKDM4EALDH1A1MAPT | |
| SCHEMBL1534823 | 0.81 | TACR3 (0.37) | PLA2G2APLA2G4AKDM4EALDH1A1CYP3A4 | |
| SCHEMBL1534471 | 0.81 | AKT1 (0.45) | PLA2G2APLA2G4AKDM4EALDH1A1CYP3A4 | |
| SCHEMBL14118764 | 0.80 | TACR3 (0.42) | PLA2G2APLA2G4AKDM4EALDH1A1CYP3A4 | |
| SCHEMBL14118761 | 0.79 | IP6K1 (0.41) | ALDH1A1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL1900535 | 0.79 | VNN1 (0.39) | KDM4EALDH1A1CYP3A4TSHRMAPT | |
| SCHEMBL1534850 | 0.78 | AKT1 (0.42) | PLA2G2APLA2G4AKDM4EALDH1A1CYP3A4 |
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 |