Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 10/20 | 0.74 |
| ▸ | DRD4 | P21917 | 10/20 | 0.74 |
| ▸ | TP53 | P04637 | 2/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.74 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.74 |
| ▸ | MAPT | P10636 | 1/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.74 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.45 |
| ▸ | HTR3A | P46098 | 3/20 | 0.45 |
| ▸ | HRH2 | P25021 | 3/20 | 0.45 |
| ▸ | HRH1 | P35367 | 3/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10873714 | 0.85 | DRD2 (1.00) | DRD2DRD4TP53CYP1A2CYP3A4 | |
| SCHEMBL11932036 | 0.77 | HRH4 (0.74) | DRD2DRD4TP53CYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL467100 | 0.77 | DRD4 (0.81) | DRD2DRD4TP53CYP1A2CYP3A4 | |
| Maleic Acid SCHEMBL467099 | 0.77 | DRD4 (0.81) | DRD2DRD4TP53CYP1A2CYP3A4 | |
| Fumaric Acid SCHEMBL29699565 | 0.77 | DRD4 (0.81) | DRD2DRD4TP53CYP1A2CYP3A4 | |
| SCHEMBL11563888 | 0.77 | DRD2 (1.00) | DRD2DRD4TP53CYP1A2CYP3A4 | |
| SCHEMBL1842504 | 0.70 | DRD2 (0.56) | DRD2DRD4TP53CYP1A2CYP3A4 | |
| SCHEMBL11577371 | 0.69 | DRD2 (0.67) | DRD2DRD4TP53CYP1A2CYP3A4 | |
| SCHEMBL11577989 | 0.68 | MAPT (0.56) | DRD2DRD4TP53CYP1A2CYP3A4 | |
| Metoxepin SCHEMBL2109740 | 0.68 | DRD2 (0.70) | DRD2DRD4TP53CYP1A2CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008063603-A2 | METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2008-05-29 | — | — | WO | disclosed |