Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28210896 | 0.85 | CYP3A4 (0.60) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL28564133 | 0.82 | CYP3A4 (0.50) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL29440559 | 0.79 | CYP3A4 (0.79) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL93192 | 0.79 | CYP3A4 (0.79) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL29662014 | 0.79 | CYP3A4 (0.54) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL1595410 | 0.79 | CYP3A4 (0.54) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL93287 | 0.79 | CYP3A4 (0.64) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL29541215 | 0.79 | CYP3A4 (0.64) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL20145 | 0.78 | CYP3A4 (0.63) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL30520271 | 0.78 | CYP3A4 (0.63) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109536135-A | A kind of marble tile anti-pollution antilubricant and preparation method thereof | 山东中佳生活服务有限公司 | 2019-03-29 | — | — | CN | disclosed |
| CN-102731814-B | Be suitable for the composition comprising specific amino formate compounds preparing polyurethane foam | EVONIK DEGUSSA GMBH (DE) | 2016-03-09 | — | — | CN | disclosed |
| CN-101875961-B | Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT2A serotonin receptor useful for the prophylaxis and treatment of disorders related therto | ARENA PHARM INC | 2015-01-07 | — | — | CN | disclosed |