Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MPO | P05164 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KDM6B | O15054 | 4/20 | 0.41 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.41 |
| ▸ | ALKBH2 | Q6NS38 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21540018 | 0.82 | SIRT3 (0.42) | KDM4ECYP2D6CYP2A6CYP2C19CYP1A2 | |
| SCHEMBL9002466 | 0.81 | SIRT3 (0.61) | KDM4ECYP2D6CYP2A6CYP2C19CYP1A2 | |
| SCHEMBL13518160 | 0.81 | KDM4E (0.55) | KDM4ECYP2D6CYP2A6CYP2C19CYP1A2 | |
| SCHEMBL1877385 | 0.80 | SIRT3 (0.65) | KDM4ECYP2D6CYP2A6CYP2C19CYP1A2 | |
| SCHEMBL30465694 | 0.79 | KDM4C (0.51) | KDM4ECYP2D6CYP2A6CYP2C19TDP1 | |
| SCHEMBL3818724 | 0.79 | TDP1 (0.44) | KDM4ECYP2D6CYP2A6CYP2C19CYP1A2 | |
| SCHEMBL123203 | 0.79 | KDM4C (0.51) | KDM4ECYP2D6CYP2A6CYP2C19TDP1 | |
| SCHEMBL4074620 | 0.79 | KDM4E (0.57) | KDM4ETDP1SIRT3ALDH1A1GLA | |
| SCHEMBL30465486 | 0.79 | KDM4E (0.57) | KDM4ETDP1SIRT3ALDH1A1GLA | |
| SCHEMBL15713099 | 0.78 | KDM4E (0.52) | KDM4ECYP2D6CYP2A6CYP2C19CYP1A2 |
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-108137518-A | As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition | 株式会社钟根堂 | 2018-06-08 | — | — | CN | disclosed |