Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4486768 | 0.80 | CYP3A4 (0.44) | ALDH1A1CYP3A4MAPK1TSHRNPSR1 | |
| SCHEMBL4494668 | 0.78 | CYP3A4 (0.37) | ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL4515783 | 0.76 | CYP3A4 (0.36) | ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL4509024 | 0.76 | CYP3A4 (0.35) | CYP3A4 | |
| SCHEMBL4354365 | 0.72 | BCHE (0.40) | ALDH1A1CYP3A4HPGDMAPK1NPSR1 | |
| SCHEMBL4345823 | 0.70 | CYP3A4 (0.42) | ALDH1A1CYP3A4HPGDMAPK1MAPT | |
| SCHEMBL4345682 | 0.65 | HPGD (0.40) | ALDH1A1CYP3A4HPGDMAPK1TSHR | |
| SCHEMBL6184773 | 0.63 | BCHE (0.42) | ALDH1A1CYP3A4HPGDMAPK1NPSR1 | |
| SCHEMBL6217035 | 0.60 | MAOB (0.36) | ALDH1A1CYP3A4MAPK1MAPTALOX15 | |
| SCHEMBL10674390 | 0.57 | LMNA (0.43) | ALDH1A1CYP3A4HPGDMAPTALOX15 |
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-1496053-A1 | KAPPA-OPIOID RECEPTOR AGONIST COMPRISING 2-PHENYLBENZOTHIAZOLINE DERIVATIVE | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2005-01-12 | — | — | EP | disclosed |