Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8840512 | 0.82 | KCNA3 (0.38) | CYP3A4TRPM8MEN1KMT2A | |
| SCHEMBL9040850 | 0.81 | NPC1 (0.42) | CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8840520 | 0.76 | NPC1 (0.41) | CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9033574 | 0.75 | NPC1 (0.42) | CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9023787 | 0.75 | BDKRB2 (0.35) | TRPM8 | |
| SCHEMBL9034144 | 0.69 | NPC1 (0.42) | CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL8840544 | 0.67 | MEN1 (0.36) | CYP2D6CYP19A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL9033513 | 0.67 | KCNA3 (0.41) | CYP3A4TRPM8MEN1KMT2AKCNH2 | |
| SCHEMBL8463989 | 0.66 | TSHR (0.44) | CYP2D6CYP3A4CYP2C9CYP2C19CYP1A2 | |
| Hydrochloric Acid SCHEMBL8704982 | 0.66 | KCNA3 (0.40) | CYP3A4TRPM8MEN1KMT2AKCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5650417-A | Substituted pyridines, their preparation, and their use as pesticides and fungicides | HOECHST SCHERING AGREVO GMBH (DE) | 1997-07-22 | — | — | US | disclosed |
| EP-0719255-A1 | SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES | Hoechst Schering AgrEvo GmbH (DE) | 1996-07-03 | — | — | EP | disclosed |
| WO-1995007890-A1 | SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1995-03-23 | — | — | WO | disclosed |