Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL7279625 | 0.87 | ALDH1A1 (0.41) | SMN1; SMN2NPC1RAB9APOLBKDM4E | |
| SCHEMBL7281786 | 0.80 | PDE4B (0.47) | SMN1; SMN2NPC1RAB9APOLBPDE4A | |
| SCHEMBL6234576 | 0.79 | AOC3 (0.49) | SMN1; SMN2POLBKDM4EMAPTGAA | |
| SCHEMBL7274265 | 0.78 | PDE4B (0.39) | PDE4APDE4BPDE4CPDE4DKDM4E | |
| SCHEMBL7274263 | 0.77 | POLB (0.46) | SMN1; SMN2POLBKDM4EHPGDGAA | |
| SCHEMBL7282980 | 0.77 | SMN1; SMN2 (0.40) | SMN1; SMN2NPC1RAB9APOLBKDM4E | |
| SCHEMBL8596052 | 0.76 | IMPDH2 (0.53) | SMN1; SMN2NPC1RAB9APOLBPDE4A | |
| SCHEMBL16109256 | 0.76 | PDE4B (0.53) | SMN1; SMN2NPC1RAB9APOLBPDE4A | |
| Hydrochloric Acid SCHEMBL7272763 | 0.76 | TAAR1 (0.51) | — | |
| SCHEMBL9786028 | 0.76 | AOC3 (0.39) | SMN1; SMN2POLBKDM4EMAPTALDH1A1 |
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 |