Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.49 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.49 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19955349 | 1.00 | CYP11B2 (0.58) | CYP11B2ALDH1A1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL7215513 | 0.87 | ATR (0.50) | CYP11B2ALDH1A1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL31264147 | 0.85 | ESR2 (0.55) | CYP11B2ALDH1A1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL3237467 | 0.85 | CYP2A6 (0.58) | CYP11B2ALDH1A1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL14856915 | 0.85 | ESR2 (0.55) | CYP11B2ALDH1A1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL30630392 | 0.85 | ESR2 (0.55) | CYP11B2ALDH1A1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL31038737 | 0.85 | CYP2A6 (0.58) | CYP11B2ALDH1A1CYP2A6CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL4596484 | 0.84 | CYP2A6 (0.60) | CYP11B2ALDH1A1CYP2A6CYP1A2CYP3A4 | |
| SCHEMBL19955350 | 0.82 | PDE3B (0.50) | CYP11B2CYP2A6CYP1A2CYP11B1KDM4E | |
| SCHEMBL7100987 | 0.82 | CYP11B2 (0.50) | CYP11B2ALDH1A1CYP2A6CYP1A2CYP3A4 |
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-114206868-A | 3- (2- (heteroaryl) -pyridin-4-yl) -5- (trifluoromethyl) -1,2, 4-oxadiazole derivatives as HDAC6 inhibitors | 奥莱松基因组股份有限公司 | 2022-03-18 | — | — | CN | disclosed |