Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9379389 | 0.92 | NPSR1 (0.57) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL9730291 | 0.91 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL13531545 | 0.87 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL27377682 | 0.85 | ALDH1A1 (0.61) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL9193808 | 0.84 | ALDH1A1 (0.52) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL28510558 | 0.84 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL9197644 | 0.83 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL9623043 | 0.82 | ALDH1A1 (0.59) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL8803417 | 0.82 | ALDH1A1 (0.54) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 | |
| SCHEMBL9215028 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19CYP3A4NPSR1 |
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-5114463-A | Bispyrimidinyloxybenzoic acids | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1992-05-19 | — | — | US | disclosed |