Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11357091 | 0.84 | NQO1 (0.43) | ALDH1A1CYP3A4AKR1C3AKR1C2HSD17B10 | |
| SCHEMBL11360637 | 0.84 | TYR (0.39) | BCHETYRACHEADRA2AADRA1A | |
| SCHEMBL11347332 | 0.82 | BCHE (0.38) | BCHETYRACHEADRA2AADRA1A | |
| SCHEMBL11358146 | 0.80 | SLC6A4 (0.43) | BCHETYRACHEADRA2AADRA1A | |
| SCHEMBL11362411 | 0.80 | BCHE (0.39) | BCHETYRACHEADRA2AADRA1A | |
| SCHEMBL11348098 | 0.80 | HTT (0.41) | BCHETYRACHEADRA2AADRA1A | |
| SCHEMBL11347847 | 0.75 | NPC1 (0.44) | ALDH1A1CYP3A4CYP1A2CYP2A6CYP2D6 | |
| SCHEMBL11353299 | 0.72 | ESR1 (0.38) | TYRCYP3A4CYP1A2HSD17B10 | |
| SCHEMBL7562805 | 0.72 | ALDH1A1 (0.47) | ADRA1ACA12CA1CA2CA7 | |
| SCHEMBL30548757 | 0.69 | CA1 (0.50) | ACHECA12CA1CA2CA7 |
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-0001910-B1 | PREPARATION OF 4,4'-DIHYDROXY STILBENES OR DERIVATIVES THEREOF | MONSANTO COMPANY (US) | 1981-09-02 | — | — | EP | disclosed |
| US-4189610-A | Preparation of 4,4-dioxy-substituted stilbenes | MONSANTO COMPANY (US) | 1980-02-19 | — | — | US | disclosed |
| EP-0001910-A1 | Preparation of 4,4'-dihydroxy stilbenes or derivatives thereof | MONSANTO COMPANY (US) | 1979-05-16 | — | — | EP | disclosed |