Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G4A | P47712 | 3/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.35 |
| ▸ | ITGAV | P06756 | 3/20 | 0.35 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.35 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.34 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.34 |
| ▸ | ITGAL | P20701 | 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 | |
|---|---|---|---|---|
| SCHEMBL165353 | 0.78 | PLA2G4A (0.66) | PLA2G4ACES1ALDH1A1 | |
| SCHEMBL2806946 | 0.76 | PLA2G4A (0.56) | PLA2G4ACES1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL6990558 | 0.74 | ALDH1A1 (0.48) | PLA2G4ACES1ADORA2AADORA1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL27990749 | 0.73 | ADORA2A (0.52) | PLA2G4ACES1ADORA2AADORA1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL7452573 | 0.73 | PRSS1 (0.41) | CMA1 | |
| Trifluoroacetic Acid SCHEMBL7452391 | 0.73 | NPC1 (0.70) | ALDH1A1 | |
| SCHEMBL7373902 | 0.71 | LOXL2 (0.46) | PLA2G4ALOXL2CES1ALDH1A1ITGB3 | |
| SCHEMBL6177200 | 0.71 | PLA2G4A (0.53) | PLA2G4ACES1FFAR1 | |
| Trifluoroacetic Acid SCHEMBL7448774 | 0.70 | KDM4E (0.43) | CES1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL3614050 | 0.70 | LOXL2 (0.61) | LOXL2ALDH1A1BRD4ITGB3ITGB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001027096-A9 | AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | PROTHERICS MOLECULAR DESIGN LT (GB) | 2001-07-12 | — | — | WO | disclosed |
| WO-2001027096-A1 | AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | TULARIK LIMITED (GB) | 2001-04-19 | — | — | WO | disclosed |