Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 11/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL7433999 | 0.86 | ABCB1 (0.69) | ABCB1ABCG2HTR1ADRD2 | |
| Ethylamine SCHEMBL7434444 | 0.86 | ABCB1 (0.52) | ABCB1ABCG2KDM4EALDH1A1POLB | |
| Acetonitrile SCHEMBL7430765 | 0.85 | ABCB1 (0.51) | ABCB1ABCG2KDM4EALDH1A1POLB | |
| Acetonitrile SCHEMBL7437702 | 0.79 | ABCB1 (0.59) | ABCB1ABCG2HTR1ADRD2TAAR1 | |
| SCHEMBL7438145 | 0.79 | ABCB1 (0.78) | ABCB1ABCG2HTR1ADRD2 | |
| SCHEMBL21030103 | 0.78 | ABCB1 (0.77) | ABCB1ABCG2HTR1ADRD2 | |
| SCHEMBL21324141 | 0.77 | ABCB1 (0.57) | ABCB1ABCG2HTR1ADRD2TAAR1 | |
| SCHEMBL7438250 | 0.77 | ABCB1 (0.56) | ABCB1ABCG2KDM4EALDH1A1POLB | |
| SCHEMBL7286452 | 0.77 | SLC2A1 (0.45) | ABCB1ABCG2KDM4EALDH1A1POLB | |
| Methyl Alcohol SCHEMBL7428563 | 0.76 | ABCB1 (0.74) | ABCB1ABCG2HTR1ADRD2 |
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-0223598-A2 | Catecholamine derivatives, processes for their preparation and pharmaceutical compositions thereof | FISONS plc (GB) | 1987-05-27 | — | — | EP | disclosed |