Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MYC | P01106 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | HNF4A | P41235 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30028907 | 0.86 | ALDH1A1 (0.72) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| SCHEMBL36145 | 0.86 | ALDH1A1 (0.72) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| SCHEMBL28531858 | 0.84 | FOLH1 (0.53) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| Hydrochloric Acid SCHEMBL1681943 | 0.84 | ALDH1A1 (0.68) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| SCHEMBL30620175 | 0.84 | ALDH1A1 (0.68) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| SCHEMBL28408894 | 0.84 | ALDH1A1 (0.68) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| Hydrochloric Acid SCHEMBL10888462 | 0.84 | ALDH1A1 (0.68) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| Hydrochloric Acid SCHEMBL7579852 | 0.84 | ALDH1A1 (0.68) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| SCHEMBL2830888 | 0.84 | ALDH1A1 (0.68) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| SCHEMBL9636797 | 0.84 | ALDH1A1 (0.68) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 |
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-114853741-A | Preparation method of novel coronavirus main protease inhibitor | 苏州立新制药有限公司 | 2022-08-05 | — | — | CN | disclosed |