Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| Aniline SCHEMBL28121040 | 0.89 | CYP2A6 (0.74) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL11328666 | 0.85 | CYP2A6 (0.81) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Methylamine SCHEMBL28280818 | 0.84 | CYP2A6 (0.90) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL3075 | 0.84 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL10684163 | 0.84 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL29903166 | 0.84 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL7517852 | 0.84 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| Ammonia Solution, Strong SCHEMBL7539708 | 0.82 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| SCHEMBL14953945 | 0.82 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD | |
| O-Xylene SCHEMBL7050723 | 0.82 | CYP2A6 (0.94) | CYP2A6ALDH1A1CYP1A2HSD17B10HPGD |
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-105853246-A | Keratin dyeing compositions comprising radical scavenger and chelant and use thereof | 宝洁公司 | 2016-08-17 | — | — | CN | disclosed |