Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 15/20 | 0.74 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.69 |
| ▸ | HTR1A | P08908 | 3/20 | 0.62 |
| ▸ | DRD2 | P14416 | 3/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7438145 | 0.97 | ABCB1 (0.78) | ABCB1ABCG2HTR1ADRD2BCHE | |
| Methyl Alcohol SCHEMBL7430978 | 0.92 | ABCB1 (0.63) | ABCB1ABCG2HTR1ADRD2BCHE | |
| Methyl Alcohol SCHEMBL7429096 | 0.92 | ABCB1 (0.63) | ABCB1ABCG2HTR1ADRD2BCHE | |
| Acetonitrile SCHEMBL7433999 | 0.90 | ABCB1 (0.69) | ABCB1ABCG2HTR1ADRD2BCHE | |
| Ethylamine SCHEMBL7428437 | 0.90 | ABCB1 (0.69) | ABCB1ABCG2HTR1ADRD2BCHE | |
| Methyl Alcohol SCHEMBL7443710 | 0.90 | ABCB1 (0.61) | ABCB1ABCG2HTR1ADRD2 | |
| Methyl Alcohol SCHEMBL7431285 | 0.84 | ABCB1 (0.54) | ABCB1ABCG2HTR1A | |
| Acetonitrile SCHEMBL7437702 | 0.82 | ABCB1 (0.59) | ABCB1ABCG2HTR1ADRD2BCHE | |
| Ethylamine SCHEMBL7436575 | 0.82 | ABCB1 (0.59) | ABCB1ABCG2HTR1ADRD2BCHE | |
| Ethylamine SCHEMBL7440936 | 0.82 | ABCB1 (0.59) | ABCB1ABCG2HTR1ADRD2BCHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0292202-B1 | 2-(3,4-DIHYDROXYPHENYL ETHYL AMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS | FISONS plc (GB) | 1992-09-02 | — | — | EP | disclosed |
| EP-0223598-A2 | Catecholamine derivatives, processes for their preparation and pharmaceutical compositions thereof | FISONS plc (GB) | 1987-05-27 | — | — | EP | disclosed |