Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CASP1 | P29466 | 3/20 | 0.36 |
| ▸ | CASP7 | P55210 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22997641 | 0.83 | CYP1A2 (0.35) | ALDH1A1CYP1A2CASP1CASP7MEN1 | |
| SCHEMBL14875689 | 0.68 | KDM4E (0.43) | ALDH1A1CYP1A2CASP1CASP7MEN1 | |
| SCHEMBL22997452 | 0.67 | APOBEC3G (0.31) | MEN1KMT2AAPOBEC3G | |
| SCHEMBL22997321 | 0.65 | TRPA1 (0.43) | ALDH1A1CYP1A2CASP1CASP7MEN1 | |
| SCHEMBL22997165 | 0.65 | PSD (0.37) | KDM4EHTTMAPK11MAPK14 | |
| SCHEMBL22997003 | 0.65 | SLC2A1 (0.38) | MAPK11MAPK14 | |
| SCHEMBL3815469 | 0.59 | MEN1 (0.43) | ALDH1A1CYP1A2CASP1CASP7MEN1 | |
| SCHEMBL14875688 | 0.57 | GAA (0.54) | ALDH1A1CYP1A2CASP1CASP7MEN1 | |
| SCHEMBL22819145 | 0.55 | GAA (0.40) | ALDH1A1CASP1CASP7MEN1KMT2A | |
| SCHEMBL12204015 | 0.54 | AOC3 (0.43) | MEN1KMT2ACYP2D6NPC1POLB |
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 |