Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11478110 | 0.84 | PTGS1 (0.59) | CYP2A6CYP3A4CYP2B6CYP2C19PTGS1 | |
| SCHEMBL13130594 | 0.80 | CYP2A6 (0.61) | CYP2A6CYP3A4CYP2B6CYP2C19PTGS1 | |
| SCHEMBL28080232 | 0.79 | MEN1 (0.49) | CYP2A6CYP3A4CYP2B6CYP2C19PTGS1 | |
| SCHEMBL28940290 | 0.79 | SMN1; SMN2 (0.51) | CYP2A6CYP3A4CYP2B6CYP2C19PTGS1 | |
| SCHEMBL2554711 | 0.75 | PTGS1 (0.43) | PTGS1GSK3B | |
| SCHEMBL28479595 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL10407505 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL8076141 | 0.74 | CYP2A6 (0.55) | CYP2A6CYP3A4CYP2B6CYP2C19CYP2E1 | |
| SCHEMBL11480250 | 0.73 | PTGS1 (0.36) | CYP2A6CYP3A4CYP2B6CYP2C19PTGS1 | |
| SCHEMBL24327998 | 0.72 | CYP2A6 (0.42) | CYP2A6CYP3A4CYP2B6CYP2C19PTGS1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200125564-A1 | NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS | OGEDA SA (BE) | 2020-04-23 | — | — | US | disclosed |
| EP-3176171-A1 | NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS | OGEDA SA (BE) | 2017-06-07 | — | — | EP | disclosed |
| EP-2552920-B1 | NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS | OGEDA SA (BE) | 2017-03-15 | — | — | EP | disclosed |
| EP-2552920-A1 | NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS | Euroscreen S.A. (BE) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011121137-A1 | NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS | EUROSCREEN S.A. (BE) | 2011-10-06 | — | — | WO | disclosed |