Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 6/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23472052 | 0.84 | CYP1A1 (0.43) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL23471908 | 0.82 | KDM4E (0.42) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL23472098 | 0.76 | CYP1A1 (0.44) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL23480242 | 0.74 | CYP2D6 (0.40) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL23480148 | 0.74 | KDM4E (0.50) | KDM4EALDH1A1HSD17B10MAPTGLA | |
| SCHEMBL23472064 | 0.74 | SLC26A3 (0.42) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL23458256 | 0.73 | CYP2D6 (0.42) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL23480275 | 0.70 | KDM4E (0.44) | KDM4EALDH1A1HSD17B10MAPTGLA | |
| SCHEMBL4038788 | 0.70 | STK17B (0.50) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL9212882 | 0.67 | KDM4E (0.53) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 |
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-2021110834-A2 | COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING | ETH ZURICH (CH) | 2021-06-10 | — | — | WO | disclosed |