Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.70 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.50 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.50 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL28295447 | 0.86 | CYP2A6 (0.79) | CYP2A6CYP2A13ALDH1A1CYP3A4TSHR | |
| SCHEMBL4724961 | 0.85 | ALDH1A1 (0.53) | CYP2A6CYP2A13ALDH1A1TSHRALDH3A1 | |
| SCHEMBL6925442 | 0.85 | ALDH1A1 (0.53) | CYP2A6CYP2A13ALDH1A1TSHRALDH3A1 | |
| Methyl Alcohol SCHEMBL11054490 | 0.84 | CYP2A6 (0.91) | CYP2A6CYP2A13ALDH1A1CYP3A4TSHR | |
| SCHEMBL1124751 | 0.84 | ALDH5A1 (0.52) | CYP2A6ALDH1A1TSHRALDH3A1ALDH1A3 | |
| SCHEMBL165131 | 0.84 | ALDH1A1 (0.64) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL61517 | 0.84 | CYP2A6 (1.00) | CYP2A6CYP2A13ALDH1A1CYP3A4TSHR | |
| Water SCHEMBL28553448 | 0.82 | CYP2A6 (0.95) | CYP2A6CYP2A13ALDH1A1CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL6593779 | 0.82 | CYP2A6 (0.95) | CYP2A6CYP2A13ALDH1A1CYP3A4TSHR | |
| SCHEMBL28322492 | 0.82 | CYP2A6 (0.95) | CYP2A6CYP2A13ALDH1A1CYP3A4TSHR |
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-1211390-C | Method for synthesizing 4-substituted amido benzyl phosphonium salt | UNIV SHANDONG (CN) | 2005-07-20 | — | — | CN | claimed |