Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.38 |
| ▸ | DRD1 | P21728 | 4/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8829448 | 0.86 | ACHE (0.39) | CYP3A4SLC6A2SLC6A4SLC6A3ACHE | |
| SCHEMBL8829332 | 0.79 | ACHE (0.40) | SLC6A2SLC6A4SLC6A3ACHEPTGS2 | |
| SCHEMBL7319817 | 0.78 | DRD2 (0.44) | ACHEDRD2DRD3KMT2A | |
| SCHEMBL7445895 | 0.78 | DRD1 (0.44) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7444920 | 0.78 | DRD1 (0.44) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7447279 | 0.78 | DRD1 (0.44) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| Bromide SCHEMBL7443557 | 0.77 | DRD1 (0.45) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL7307142 | 0.76 | ACHE (0.41) | SLC6A2SLC6A4SLC6A3ACHEPTGS2 | |
| SCHEMBL13928820 | 0.74 | SLC6A2 (0.62) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13928821 | 0.67 | CYP3A4 (0.62) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5621133-A | PREPARING A 1-(3,4-DIALKOXYPHENYL),3-HYDROXYALKANE(C6-C12) BY EPOXIDIZING A HALO DERIVATIVE WITH A BASE FOLLOWED BY DECYCLICIZING WITH AN ORGANOMETALLIC COMPOUND IN A SOLVENT; NAPHTHYLENES, ISOCHROMENES AND ISOTHIOCHROMENES | DENINNO MICHAEL P (US) | 1997-04-15 | — | — | US | disclosed |
| US-5591884-A | PROTECTED HYDROXYALKYLCATECHOL INTERMEDIATES | ABBOTT LABORATORIES (US) | 1997-01-07 | — | — | US | disclosed |
| WO-1996038435-A1 | DOPAMINE AGONISTS | ABBOTT LABORATORIES (US) | 1996-12-05 | — | — | WO | disclosed |