Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | WDR5 | P61964 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11270715 | 1.00 | CYP1A2 (0.35) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2339685 | 0.79 | CNR2 (0.38) | CYP1A2CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL1101645 | 0.77 | ALDH1A1 (0.45) | CYP1A2CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL11269245 | 0.75 | MEN1 (0.34) | CYP1A2CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL7209479 | 0.75 | CNR2 (0.40) | CYP1A2CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL10349962 | 0.73 | ALDH1A1 (0.41) | CYP1A2CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL5187759 | 0.72 | LIMK1 (0.46) | CYP1A2CYP2C19CYP3A4CYP2C9KDM4E | |
| SCHEMBL11257065 | 0.71 | CYP1A2 (0.59) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11257067 | 0.71 | CYP1A2 (0.59) | CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28217713 | 0.68 | KMT2A (0.38) | CYP1A2CYP3A4CYP2D6CYP2C9KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0048954-A2 | Beta-lactam compounds, process for the preparation thereof and intermediate products for the preparation thereof | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1982-04-07 | — | — | EP | disclosed |