Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2923221 | 1.00 | CYP2D6 (0.30) | CYP2D6CYP2C19 | |
| SCHEMBL2923217 | 1.00 | CYP2D6 (0.30) | CYP2D6CYP2C19 | |
| SCHEMBL2914701 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL2914705 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL22091298 | 0.78 | — | — | |
| SCHEMBL11665492 | 0.76 | CYP2D6 (0.32) | CYP2D6CYP2C19 | |
| SCHEMBL2922932 | 0.73 | CYP2D6 (0.30) | CYP2D6CYP2C19 | |
| SCHEMBL15561531 | 0.73 | BTN3A1 (0.38) | CYP2D6CYP2C19 | |
| SCHEMBL15561529 | 0.73 | BTN3A1 (0.38) | CYP2D6CYP2C19 | |
| SCHEMBL2922933 | 0.73 | CYP2D6 (0.30) | CYP2D6CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109153642-B | Indole and azaindole halogenated allylamine derivative inhibitors of lysyl oxidase and uses thereof | 法玛西斯有限公司 | 2022-05-17 | — | — | CN | disclosed |
| CN-114286816-A | Difluoro-halogenated allylamine sulfone derivative inhibitor of lysyl oxidase, preparation method and application thereof | 法玛西斯有限公司 | 2022-04-05 | — | — | CN | disclosed |
| EP-3856176-A2 | INHIBITORS OF VAP-1 | Acucela Inc. (US) | 2021-08-04 | — | — | EP | disclosed |
| CN-112533897-A | Haloallylamine sulfone derivative inhibitors of lysyl oxidase and uses thereof | 法玛西斯有限公司 | 2021-03-19 | — | — | CN | disclosed |
| WO-2020069330-A2 | INHIBITORS OF VAP-1 | ACUCELA INC. (US) | 2020-04-02 | — | — | WO | disclosed |