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 | 10/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | HPGD | P15428 | 8/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23471908 | 0.97 | KDM4E (0.42) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL23472098 | 0.92 | CYP1A1 (0.44) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL23472064 | 0.90 | SLC26A3 (0.42) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL23480242 | 0.89 | CYP2D6 (0.40) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL23480275 | 0.84 | KDM4E (0.44) | KDM4EALDH1A1HPGDHSD17B10RAB9A | |
| SCHEMBL23480144 | 0.84 | CYP1A1 (0.43) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL23480241 | 0.81 | DUSP3 (0.38) | CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43 | |
| SCHEMBL23480274 | 0.76 | SLC26A3 (0.43) | — | |
| SCHEMBL23471909 | 0.74 | KDM4E (0.53) | KDM4EALDH1A1HPGDHSD17B10RAB9A | |
| SCHEMBL23472100 | 0.74 | SLC26A3 (0.48) | — |
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-2021110834-A2 | COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING | ETH ZURICH (CH) | 2021-06-10 | — | — | WO | disclosed |
| EP-3831820-A1 | COMPOUNDS AND METHODS FOR AMINE OXIDASE IMAGING | ETH Zurich (CH) | 2021-06-09 | — | — | EP | disclosed |