Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL9198250 | 0.85 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL9195994 | 0.84 | ALDH1A1 (0.57) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL9162339 | 0.83 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL9162331 | 0.83 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL9155888 | 0.82 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL9155892 | 0.82 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL8659409 | 0.77 | NPSR1 (0.39) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL7835212 | 0.75 | ALDH1A1 (0.53) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL9294399 | 0.75 | ALDH1A1 (0.51) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL9294395 | 0.75 | ALDH1A1 (0.51) | CYP1A2CYP2C9CYP2C19CYP3A4GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5401711-A | Oxygen or sulfur derivatives | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1995-03-28 | — | — | US | disclosed |
| EP-0555488-A1 | PYRIMIDINE OR TRIAZINE DERIVATIVE AND HERBICIDE | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1993-08-18 | — | — | EP | disclosed |