Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19002291 | 0.80 | GSK3B (0.44) | CYP2A6CA2ALDH1A1CA12CA3 | |
| SCHEMBL29001006 | 0.76 | HPGD (0.44) | CA2CA12CA3CA6CA9 | |
| SCHEMBL27520915 | 0.74 | CYP19A1 (0.48) | CYP2A6CA2ALDH1A1CA12CA3 | |
| SCHEMBL342986 | 0.74 | PGR (0.49) | CYP2A6CA2ALDH1A1CA12CA3 | |
| SCHEMBL4728041 | 0.74 | PGR (0.49) | CYP2A6CA2ALDH1A1CA12CA3 | |
| SCHEMBL4104447 | 0.74 | CYP3A4 (0.47) | ALDH1A1MAPTHPGDCYP3A4CYP2C19 | |
| SCHEMBL320277 | 0.74 | PGR (0.49) | CYP2A6CA2ALDH1A1CA12CA3 | |
| SCHEMBL2242532 | 0.74 | CYP3A4 (0.47) | ALDH1A1MAPTHPGDCYP3A4CYP2C19 | |
| SCHEMBL27639167 | 0.74 | HPGD (0.41) | ALDH1A1KDM4EGAAMAPTHPGD | |
| SCHEMBL2563661 | 0.73 | LMNA (0.56) | CA2CA12CA3CA6CA9 |
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-110240579-B | Polysubstituted gamma-butyrolactone compound, preparation method and application thereof | 中国科学院成都有机化学有限公司 | 2023-03-31 | — | — | CN | disclosed |