Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1573293 | 0.93 | APP (0.47) | TRPA1ALDH1A1TSHR | |
| SCHEMBL9539720 | 0.93 | APP (0.47) | TRPA1ALDH1A1TSHR | |
| SCHEMBL9705573 | 0.92 | KCNA3 (0.50) | HRH3PRSS1KCNA3 | |
| SCHEMBL9539656 | 0.90 | KCNA3 (0.48) | KCNA3 | |
| SCHEMBL10614694 | 0.90 | KCNA3 (0.48) | KCNA3 | |
| SCHEMBL4086993 | 0.90 | TRPA1 (0.40) | TRPA1ALDH1A1TSHRHRH3LTA4H | |
| SCHEMBL9705568 | 0.90 | KCNA3 (0.48) | KCNA3 | |
| SCHEMBL9829763 | 0.89 | ACACB (0.42) | HRH3KEAP1NFE2L2 | |
| SCHEMBL18179721 | 0.87 | PPARA (0.43) | HRH3 | |
| SCHEMBL4105829 | 0.86 | APP (0.56) | ALDH1A1LTA4H |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116178258-A | N-methylaniline quinoline compound and synthetic method and application thereof | 中国医学科学院北京协和医院 | 2023-05-30 | — | — | CN | claimed |
| EP-0228803-A2 | Ionene elastomers | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1987-07-15 | — | — | EP | claimed |
| CN-116178258-B | N-methylaniline quinoline compound and synthetic method and application thereof | 中国医学科学院北京协和医院 | 2023-11-21 | — | — | CN | disclosed |
| CN-116178258-A | N-methylaniline quinoline compound and synthetic method and application thereof | 中国医学科学院北京协和医院 | 2023-05-30 | — | — | CN | disclosed |
| WO-2015185780-A1 | SYMMETRICAL POLAR INHIBITORS OF CHOLINE KINASE WITH ANTI-TUMOUR ACTIVITY | UNIVERSIDAD DE GRANADA (ES) | 2015-12-10 | — | — | WO | disclosed |
| EP-0228803-B1 | IONENE ELASTOMERS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1992-09-16 | — | — | EP | disclosed |