Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL809258 | 0.86 | CYP2A6 (0.77) | ALDH1A1CYP2A6KDM4EHSD17B10CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL28038831 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CYP2A6KDM4EHSD17B10CYP1A2 | |
| Acetic Acid SCHEMBL31412758 | 0.84 | ALDH1A1 (0.74) | ALDH1A1CYP2A6KDM4EHSD17B10CYP1A2 | |
| Acetic Acid SCHEMBL1961579 | 0.84 | ALDH1A1 (0.74) | ALDH1A1CYP2A6KDM4EHSD17B10CYP1A2 | |
| Carbamic Acid SCHEMBL28454155 | 0.82 | ALDH1A1 (0.71) | ALDH1A1CYP2A6KDM4EHSD17B10CYP1A2 | |
| Acetic Acid SCHEMBL28004587 | 0.82 | ALDH1A1 (0.71) | ALDH1A1CYP2A6KDM4EHSD17B10CYP1A2 | |
| Acetone SCHEMBL27948247 | 0.82 | CYP2A6 (0.77) | ALDH1A1CYP2A6KDM4EHSD17B10CYP1A2 | |
| Phenanthrene SCHEMBL1839925 | 0.82 | HSD17B10 (0.55) | ALDH1A1CYP2A6KDM4EHSD17B10HPGD | |
| Benzene SCHEMBL27993507 | 0.82 | CYP2A6 (0.94) | ALDH1A1CYP2A6HSD17B10CYP1A2HPGD | |
| Trifluoroacetic Acid SCHEMBL1568331 | 0.81 | PPARG (0.50) | ALDH1A1KDM4EHSD17B10HPGDNR4A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104981249-B | Antimicrobe compound, their synthesis and its application | 英国卫生部 | 2018-06-19 | — | — | CN | disclosed |
| CN-104981249-A | Antimicrobial compounds, their synthesis and applications thereof | SEC DEP FOR HEALTH | 2015-10-14 | — | — | CN | disclosed |