Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | EDNRB | P24530 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | MC3R | P41968 | 1/20 | 0.44 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.44 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1234229 | 0.84 | TAAR1 (0.55) | TAAR1CYP2C19CYP2D6PKMLMNA | |
| SCHEMBL25152144 | 0.84 | TAAR1 (0.55) | TAAR1CYP2C19CYP2D6PKMLMNA | |
| SCHEMBL17050186 | 0.84 | TAAR1 (0.55) | TAAR1CYP2C19CYP2D6SLC6A3PLA2G1B | |
| SCHEMBL25152385 | 0.84 | TAAR1 (0.55) | TAAR1CYP2C19CYP2D6PKMLMNA | |
| SCHEMBL12304083 | 0.83 | CYP2C19 (0.50) | TAAR1CYP2C19SMN1; SMN2ALOX5ALDH1A1 | |
| SCHEMBL11017601 | 0.82 | SLC6A3 (0.50) | CYP2C19CYP1A2CYP2D6PKMSMN1; SMN2 | |
| SCHEMBL10247979 | 0.82 | TAAR1 (0.53) | TAAR1ALDH1A1SLC6A3PLA2G1BATG4B | |
| SCHEMBL26724801 | 0.82 | TAAR1 (0.53) | TAAR1ALDH1A1SLC6A3PLA2G1BATG4B | |
| SCHEMBL12836118 | 0.81 | AOC3 (0.42) | ALDH1A1LMNA | |
| SCHEMBL12836116 | 0.81 | CYP2C9 (0.50) | CYP2C19CYP1A2CYP2D6SMN1; SMN2DRD3 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108752241-A | Acyl group guanidine for treating arthropathy | 默克专利股份公司 | 2018-11-06 | — | — | CN | claimed |
| CN-105517993-B | Aryl amide kinase inhibitors | 百时美施贵宝公司 | 2018-07-13 | — | — | CN | claimed |
| EP-2401260-A1 | DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM | Galderma Research & Development (FR) | 2012-01-04 | — | — | EP | claimed |
| WO-2010097465-A1 | DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2010-09-02 | — | — | WO | claimed |
| CN-108752241-A | Acyl group guanidine for treating arthropathy | 默克专利股份公司 | 2018-11-06 | — | — | CN | disclosed |
| CN-105517993-B | Aryl amide kinase inhibitors | 百时美施贵宝公司 | 2018-07-13 | — | — | CN | disclosed |
| EP-2401260-A1 | DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM | Galderma Research & Development (FR) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097465-A1 | DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2010-09-02 | — | — | WO | disclosed |