Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.34 |
| ▸ | USP2 | O75604 | 5/20 | 0.34 |
| ▸ | CASP1 | P29466 | 5/20 | 0.34 |
| ▸ | CASP7 | P55210 | 5/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.34 |
| ▸ | GLA | P06280 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22996995 | 0.83 | ALDH1A1 (0.36) | CYP1A2CYP2C9CYP2C19ALDH1A1USP2 | |
| SCHEMBL22997321 | 0.73 | TRPA1 (0.43) | CYP1A2CYP2C9ALDH1A1CASP1CASP7 | |
| SCHEMBL22997003 | 0.72 | SLC2A1 (0.38) | — | |
| SCHEMBL22997165 | 0.69 | PSD (0.37) | KDM4EHTTGAA | |
| SCHEMBL14875789 | 0.59 | GAA (0.50) | CYP1A2CYP2C9CYP2C19ALDH1A1CASP1 | |
| SCHEMBL11062613 | 0.58 | ALDH1A1 (0.40) | CYP1A2CYP2C9CYP2C19ALDH1A1USP2 | |
| SCHEMBL10688013 | 0.54 | KDM4E (0.68) | CYP1A2CYP2C9CYP2C19ALDH1A1HIF1A | |
| SCHEMBL6102059 | 0.54 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19ALDH1A1USP2 | |
| SCHEMBL1009194 | 0.52 | RAB9A (0.68) | ALDH1A1HSD17B10KDM4ERAB9ASMN1; SMN2 | |
| SCHEMBL10511681 | 0.52 | ADORA2A (0.46) | KDM4ERAB9ASMN1; SMN2NPC1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3777846-A1 | VAP-1 INHIBITORS FOR TREATING PAIN | BenevolentAI Cambridge Limited (GB) | 2021-02-17 | — | — | EP | disclosed |