Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ACP3 | P15309 | 1/20 | 0.53 |
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL47 | 0.98 | CYP1A2 (0.59) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| SCHEMBL30365968 | 0.98 | CYP1A2 (0.59) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| SCHEMBL27347238 | 0.95 | CYP1A2 (0.57) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| Iodide SCHEMBL27636636 | 0.95 | CYP1A2 (0.57) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| Benzene SCHEMBL28149096 | 0.95 | TDP1 (0.61) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| SCHEMBL29140496 | 0.95 | CYP1A2 (0.57) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| Hydrogen Sulfide SCHEMBL28763519 | 0.95 | CYP1A2 (0.57) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| Water SCHEMBL8463988 | 0.95 | CYP1A2 (0.57) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| Naphthalene SCHEMBL28758695 | 0.95 | CYP1A2 (0.57) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 | |
| Phosphine SCHEMBL28240107 | 0.95 | CYP1A2 (0.57) | CYP1A2CYP2C19CYP2D6CYP2C9TDP1 |
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-107903938-A | A kind of method that the high boiling aromatic hydrocarbons as heat medium oil are prepared by heavy aromatics | 中海油天津化工研究设计院有限公司 | 2018-04-13 | — | — | CN | disclosed |