Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9231209 | 0.90 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL9227486 | 0.89 | CASP3 (0.45) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL9233134 | 0.89 | CYP3A4 (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL8881736 | 0.87 | CASP3 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL8882202 | 0.85 | CASP3 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL9233093 | 0.83 | L3MBTL1 (0.49) | CYP2D6CYP2C9CYP2C19GAAMEN1 | |
| SCHEMBL9233372 | 0.81 | KDM4E (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL8881539 | 0.80 | NPSR1 (0.41) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL5768385 | 0.80 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL5768389 | 0.80 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0677522-A1 | 8-METHOXYQUINOLONECARBOXYLIC ACID DERIVATIVE | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1995-10-18 | — | — | EP | disclosed |