Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL355959 | 0.87 | CYP2D6 (0.49) | CYP2D6ALDH1A1CYP2C19HSD17B10HIF1A | |
| SCHEMBL169116 | 0.87 | CYP2D6 (0.49) | CYP2D6ALDH1A1CYP2C19HSD17B10HIF1A | |
| SCHEMBL8529142 | 0.87 | CYP2D6 (0.49) | CYP2D6ALDH1A1CYP2C19HSD17B10HIF1A | |
| Hydrochloric Acid SCHEMBL8686514 | 0.86 | CYP2D6 (0.48) | CYP2D6ALDH1A1CYP2C19HSD17B10HIF1A | |
| SCHEMBL13823445 | 0.84 | CYP2D6 (0.46) | CYP2D6ALDH1A1CYP2C19HSD17B10HIF1A | |
| SCHEMBL13823400 | 0.84 | CYP2D6 (0.46) | CYP2D6ALDH1A1CYP2C19HSD17B10HIF1A | |
| SCHEMBL150354 | 0.80 | ALDH1A1 (0.53) | CYP2D6ALDH1A1CYP2C19HSD17B10CYP3A4 | |
| SCHEMBL150355 | 0.80 | ALDH1A1 (0.53) | CYP2D6ALDH1A1CYP2C19HSD17B10CYP3A4 | |
| SCHEMBL3730504 | 0.80 | ALDH1A1 (0.53) | CYP2D6ALDH1A1CYP2C19HSD17B10CYP3A4 | |
| Hydrochloric Acid SCHEMBL7673735 | 0.78 | ALDH1A1 (0.51) | CYP2D6ALDH1A1CYP2C19HSD17B10HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1509216-B1 | ACTIVE INGREDIENT SALTS AND ESTERS OF 1-DIMETHYLAMINO-3-(3-METHOXY-PHENYL)-2-METHYL-PENTAN-3-OL AND 3-(3-DIMETHYLAMINO-1-ETHYL-1-HYDROXY-2-METHYL-PROPYL)-PHENOL | GRUENENTHAL GMBH (DE) | 2008-05-07 | — | — | EP | disclosed |