Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL505705 | 0.84 | L3MBTL1 (0.51) | KMT2ATSHRALDH1A1 | |
| SCHEMBL154164 | 0.81 | USP2 (0.49) | USP2TSHR | |
| SCHEMBL9181576 | 0.80 | CYP2C9 (0.47) | CYP2D6CYP2C9USP2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL17714540 | 0.80 | USP2 (0.47) | USP2TSHR | |
| SCHEMBL1972942 | 0.76 | SLC6A2 (0.33) | CYP2D6USP2CYP1A2TSHRALDH1A1 | |
| SCHEMBL28515961 | 0.76 | CYP2D6 (0.44) | CYP2D6CYP2C9USP2CYP1A2CYP3A4 | |
| SCHEMBL22319499 | 0.76 | HPGD (0.44) | USP2MEN1KMT2AALDH1A1 | |
| SCHEMBL15451913 | 0.74 | CYP1A2 (0.53) | CYP2D6CYP2C9USP2CYP1A2CYP3A4 | |
| SCHEMBL3632294 | 0.72 | CYP1A2 (0.56) | CYP2D6CYP2C9USP2CYP1A2CYP3A4 | |
| SCHEMBL20617537 | 0.72 | L3MBTL1 (0.53) | CYP2D6CYP2C9USP2CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106188027-B | Aromatic heterocyclic derivative and application thereof in medicine | 广东东阳光药业有限公司 | 2020-10-20 | — | — | CN | disclosed |