Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 13/20 | 0.44 |
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| SCHEMBL7272147 | 0.89 | ALDH1A1 (0.49) | KDM4EALDH1A1CYP3A4MAPTALOX15 | |
| SCHEMBL7279476 | 0.84 | MAPT (0.42) | KDM4EALDH1A1CYP3A4MAPTALOX15 | |
| SCHEMBL4437002 | 0.79 | ERN1 (0.55) | KDM4EALDH1A1CYP3A4MAPTALOX15 | |
| SCHEMBL7371372 | 0.78 | KDM4E (0.49) | KDM4EALDH1A1CYP3A4MAPTALOX15 | |
| SCHEMBL9550827 | 0.76 | ERN1 (0.52) | KDM4EALDH1A1CYP3A4MAPTALOX15 | |
| SCHEMBL790725 | 0.73 | ERN1 (0.54) | KDM4EALDH1A1CYP3A4MAPTALOX15 | |
| SCHEMBL5649150 | 0.72 | KDM4E (0.49) | KDM4EALDH1A1CYP3A4MAPTALOX15 | |
| SCHEMBL7373063 | 0.70 | MAPT (0.43) | KDM4EALDH1A1CYP3A4MAPTALOX15 | |
| SCHEMBL12154699 | 0.70 | ERN1 (0.54) | KDM4EALDH1A1CYP3A4MAPTALOX15 | |
| SCHEMBL22411776 | 0.70 | ALDH1A1 (0.53) | KDM4EALDH1A1CYP3A4MAPTALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4885313-A | 3,4-Dihydroxyphenylethylamine derivatives and their use | FISONS PLC (GB) | 1989-12-05 | — | — | US | disclosed |
| US-4803225-A | Dihydroxy-phenethylamino compounds useful as pharmaceuticals | FISONS, PLC (GB) | 1989-02-07 | — | — | US | disclosed |
| US-4720586-A | Substituted 3,4-dihydroxy-phenylethylamino compounds | FISONS, PLC (GB) | 1988-01-19 | — | — | US | disclosed |
| EP-0142283-A2 | Phenylethylamines, process for their preparation and compositions containing them | FISONS plc (GB) | 1985-05-22 | — | — | EP | disclosed |