Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 15/20 | 0.66 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7451851 | 0.90 | DRD1 (0.69) | DRD1ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL7553387 | 0.85 | DRD1 (0.72) | DRD1ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL7445455 | 0.85 | DRD1 (0.72) | DRD1ADRA2AADRA2BADRA2CADRA1D | |
| Hydrochloric Acid SCHEMBL9039972 | 0.84 | DRD1 (0.70) | DRD1ADRA2AADRA2BADRA2CADRA1D | |
| Hydrochloric Acid SCHEMBL7307267 | 0.84 | DRD1 (0.70) | DRD1ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL8829311 | 0.84 | DRD1 (0.64) | DRD1ADRA2AADRA2BADRA2CADRA1D | |
| SCHEMBL7445752 | 0.80 | DRD1 (1.00) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| SCHEMBL7439885 | 0.80 | DRD1 (1.00) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8829240 | 0.79 | DRD1 (0.97) | DRD1ADRA2AADRA2BADRA2CADRA1B | |
| Hydrochloric Acid SCHEMBL7499546 | 0.79 | DRD1 (0.74) | DRD1ADRA2AADRA2BADRA2CADRA1D |
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 |
|---|---|---|---|---|---|---|---|
| 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 |