Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 4/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7318591 | 0.85 | DRD1 (0.36) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7318180 | 0.84 | DRD1 (0.35) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| SCHEMBL7443351 | 0.79 | ADORA3 (0.36) | MTNR1AMTNR1BNPSR1DRD1KDM4E | |
| SCHEMBL7308845 | 0.79 | DRD1 (0.43) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7307954 | 0.78 | DRD1 (0.42) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| SCHEMBL7447203 | 0.72 | ACHE (0.35) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| SCHEMBL9038400 | 0.69 | DRD1 (0.35) | DRD1KDM4ETP53CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7447474 | 0.69 | DRD2 (0.35) | SMN1; SMN2KDM4EMAPTHSD17B10DRD2 | |
| SCHEMBL7444849 | 0.69 | CARM1 (0.36) | DRD1KDM4EDRD2HDAC1 | |
| SCHEMBL7444847 | 0.69 | CARM1 (0.36) | DRD1KDM4EDRD2HDAC1 |
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 |