Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | EBP | Q15125 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10767860 | 0.77 | CYP2D6 (0.49) | CYP3A4CYP2D6CYP2C19USP2MAPK1 | |
| SCHEMBL10767865 | 0.76 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C19USP2MAPK1 | |
| Hydrochloric Acid SCHEMBL10925790 | 0.76 | CYP2D6 (0.48) | CYP3A4CYP2D6CYP2C19USP2MAPK1 | |
| SCHEMBL22498722 | 0.76 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C19USP2MAPK1 | |
| SCHEMBL8546247 | 0.75 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP2C19USP2MAPK1 | |
| Hydrochloric Acid SCHEMBL10925795 | 0.75 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C19USP2MAPK1 | |
| SCHEMBL8816073 | 0.74 | KMT2A (0.55) | MAPK1SMN1; SMN2LMNAKDM4ETP53 | |
| SCHEMBL827858 | 0.74 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C19USP2MAPK1 | |
| SCHEMBL824487 | 0.74 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C19USP2MAPK1 | |
| SCHEMBL4541226 | 0.73 | CYP2D6 (0.55) | CYP3A4CYP2D6CYP2C19USP2MAPK1 |
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-4545996-A | ANTIDEPRESSANTS; PSYCHOSTIMULANTS; CENTRAL NERVOUS SYSTEM | LABORATOIRE L. LAFON (FR) | 1985-10-08 | — | — | US | disclosed |