Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.38 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | PDE8B | O95263 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9049957 | 0.98 | BCHE (0.39) | BCHECCR1CCR3CYP2D6CARM1 | |
| SCHEMBL9046919 | 0.94 | DRD2 (0.40) | BCHECCR3CYP2D6CARM1PRMT6 | |
| Hydrochloric Acid SCHEMBL9050368 | 0.93 | DRD2 (0.39) | BCHECCR3CYP2D6CARM1PRMT6 | |
| SCHEMBL9047841 | 0.80 | ACHE (0.37) | BCHECYP2D6CYP3A4CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL9045686 | 0.79 | ACHE (0.37) | BCHECYP2D6CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL9047832 | 0.73 | HRH3 (0.33) | — | |
| SCHEMBL9047746 | 0.71 | L3MBTL1 (0.37) | CYP2D6CYP3A4CYP1A2ALDH1A1 | |
| SCHEMBL9047634 | 0.70 | DRD3 (0.35) | DRD2DRD4DRD3 | |
| SCHEMBL9045662 | 0.69 | BCHE (0.44) | BCHECCR1CCR3CYP2D6CARM1 | |
| SCHEMBL8238364 | 0.69 | BCHE (0.70) | BCHECCR3CYP2D6CARM1PRMT6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0749966-A1 | 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-12-27 | — | — | EP | disclosed |