Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 7/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4346196 | 0.99 | CYP3A4 (0.43) | CYP3A4F2OPRM1OPRD1MEN1 | |
| SCHEMBL6195573 | 0.94 | CYP3A4 (0.43) | CYP3A4OPRM1OPRD1MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4352353 | 0.93 | CYP3A4 (0.43) | CYP3A4OPRM1OPRD1MEN1ALDH1A1 | |
| SCHEMBL9965796 | 0.90 | CYP3A4 (0.43) | CYP3A4MEN1KMT2ADRD2 | |
| Hydrochloric Acid SCHEMBL4346202 | 0.90 | CYP3A4 (0.43) | CYP3A4MEN1ALDH1A1KMT2ADRD2 | |
| Hydrochloric Acid SCHEMBL4353333 | 0.89 | CYP3A4 (0.42) | CYP3A4KMT2ADRD2 | |
| Hydrochloric Acid SCHEMBL5112754 | 0.88 | CYP3A4 (0.41) | CYP3A4F2ALDH1A1CXCR3 | |
| SCHEMBL3164557 | 0.85 | CYP3A4 (0.43) | CYP3A4OPRM1MEN1ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL4346183 | 0.85 | CYP3A4 (0.43) | CYP3A4ALDH1A1KMT2APTGDR2 | |
| Hydrochloric Acid SCHEMBL4349326 | 0.85 | CYP3A4 (0.42) | CYP3A4OPRM1MEN1ALDH1A1KMT2A |
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 |