Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 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 | |
|---|---|---|---|---|
| SCHEMBL8710401 | 1.00 | CYP2D6 (0.50) | CYP2D6CYP3A4CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL8710931 | 1.00 | CYP2D6 (0.50) | CYP2D6CYP3A4CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL8705296 | 0.88 | CYP2D6 (0.51) | CYP2D6CYP3A4CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL8705300 | 0.88 | CYP2D6 (0.51) | CYP2D6CYP3A4CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL4411239 | 0.84 | CYP3A4 (0.57) | CYP2D6CYP3A4CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL10409067 | 0.84 | CYP2D6 (0.56) | CYP2D6CYP3A4CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL3391969 | 0.84 | CYP3A4 (0.57) | CYP2D6CYP3A4CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL4411763 | 0.84 | CYP3A4 (0.57) | CYP2D6CYP3A4CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL657896 | 0.82 | CYP2D6 (0.67) | CYP2D6CYP3A4CYP2C19CYP1A2ALDH1A1 | |
| SCHEMBL10376015 | 0.82 | CYP2D6 (0.67) | CYP2D6CYP3A4CYP2C19CYP1A2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5723450-A | Substituted pyridines, their preparation, and their use as pesticides and fungicides | HOECHST SCHERING AGREVO GMBH (DE) | 1998-03-03 | — | — | US | disclosed |