Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NT5E | P21589 | 1/20 | 0.34 |
| ▸ | EP300 | Q09472 | 1/20 | 0.30 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.30 |
| ▸ | KAT5 | Q92993 | 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 | |
|---|---|---|---|---|
| SCHEMBL6422894 | 0.74 | CYP3A4 (0.47) | CYP1A2CYP3A4CYP2D6NT5EEP300 | |
| SCHEMBL3182746 | 0.72 | — | — | |
| SCHEMBL610112 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL5924779 | 0.69 | CNR1 (0.35) | CYP3A4CYP2D6 | |
| SCHEMBL694294 | 0.68 | CYP3A4 (0.47) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27176145 | 0.68 | HSD17B1 (0.47) | CYP1A2CYP3A4 | |
| SCHEMBL3609293 | 0.68 | DYRK1A (0.46) | CYP3A4 | |
| SCHEMBL2876361 | 0.68 | — | — | |
| SCHEMBL297361 | 0.67 | NOTUM (0.54) | — | |
| SCHEMBL160790 | 0.67 | CYP2A6 (0.45) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5234946-A | Anticholesterol, antilipemic | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1993-08-10 | — | — | US | disclosed |
| EP-0318860-B1 | SUBSTITUTED ALKYLAMINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1993-06-16 | — | — | EP | disclosed |
| CN-1037141-A | The alkylamine derivative that replaces | BANYU PHARMA CO LTD (JP) | 1989-11-15 | — | — | CN | disclosed |
| EP-0318860-A2 | Substituted alkylamine derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1989-06-07 | — | — | EP | disclosed |