Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 10/20 | 0.87 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.70 |
| ▸ | DRD3 | P35462 | 4/20 | 0.70 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.70 |
| ▸ | HTR1A | P08908 | 1/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.70 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.70 |
| ▸ | DRD1 | P21728 | 1/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.70 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.70 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.70 |
| ▸ | DRD2 | P14416 | 3/20 | 0.66 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.66 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.66 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12128156 | 1.00 | KCNH2 (0.87) | KCNH2OPRM1DRD3CHRM2HTR1A | |
| SCHEMBL12128150 | 1.00 | KCNH2 (0.87) | KCNH2OPRM1DRD3CHRM2HTR1A | |
| Hydrochloric Acid SCHEMBL2791187 | 0.98 | KCNH2 (0.84) | KCNH2OPRM1DRD3CHRM2HTR1A | |
| Hydrochloric Acid SCHEMBL2785973 | 0.98 | KCNH2 (0.84) | KCNH2OPRM1DRD3CHRM2HTR1A | |
| SCHEMBL12128145 | 0.98 | KCNH2 (0.83) | KCNH2OPRM1DRD3CHRM2HTR1A | |
| SCHEMBL11131429 | 0.93 | KCNH2 (0.93) | KCNH2OPRM1DRD3CHRM2HTR1A | |
| SCHEMBL11135074 | 0.93 | KCNH2 (1.00) | KCNH2OPRM1DRD3CHRM2HTR1A | |
| SCHEMBL29107047 | 0.93 | KCNH2 (1.00) | KCNH2OPRM1DRD3CHRM2HTR1A | |
| SCHEMBL11133608 | 0.93 | KCNH2 (0.93) | KCNH2OPRM1DRD3CHRM2HTR1A | |
| SCHEMBL610828 | 0.93 | OPRM1 (0.74) | KCNH2OPRM1DRD3CHRM2HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3636245-A1 | WATER-IN-OIL EMULSIFIED COSMETIC PREPARATION | Shiseido Company, Ltd. (JP) | 2020-04-15 | — | — | EP | disclosed |
| US-8119195-B2 | Mixture containing quaternary ammonium compound and its use | AKZO NOBEL N.V. (NL) | 2012-02-21 | — | — | US | disclosed |
| US-20100267874-A1 | MIXTURE CONTAINING QUATERNARY AMMONIUM COMPOUND AND ITS USE | AKZO NOBEL N.V. (NL) | 2010-10-21 | — | — | US | disclosed |