Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.46 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.44 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.44 |
| ▸ | ITGAL | P20701 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14744510 | 0.85 | PLA2G7 (0.66) | PLA2G7CYP3A4ITGB2ICAM1ITGAL | |
| SCHEMBL14054914 | 0.84 | ITGB2 (0.59) | PLA2G7CYP3A4HSP90AA1HSP90AB1ITGB2 | |
| SCHEMBL14056729 | 0.83 | CYP3A4 (0.55) | PLA2G7CYP3A4HSP90AA1HSP90AB1ITGB2 | |
| SCHEMBL21021238 | 0.82 | PLA2G7 (0.62) | PLA2G7CYP3A4HSD11B1ALDH1A1CASP1 | |
| SCHEMBL18430945 | 0.80 | PLA2G7 (0.75) | PLA2G7CYP3A4ALDH1A1CASP1TSHR | |
| SCHEMBL30092397 | 0.79 | PLA2G7 (0.65) | PLA2G7CYP3A4ALDH1A1CASP1TSHR | |
| SCHEMBL31607621 | 0.79 | PLA2G7 (0.65) | PLA2G7CYP3A4ALDH1A1CASP1TSHR | |
| SCHEMBL8848693 | 0.79 | PLA2G7 (0.65) | PLA2G7CYP3A4ALDH1A1CASP1TSHR | |
| Hydrochloric Acid SCHEMBL6574537 | 0.79 | TSHR (0.54) | PLA2G7CYP3A4HSP90AA1HSP90AB1ITGB2 | |
| SCHEMBL15292824 | 0.77 | PLA2G7 (0.55) | PLA2G7CYP3A4ALDH1A1CASP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013029338-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2013-03-07 | — | — | WO | disclosed |