Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754362 | 0.94 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9412143 | 0.94 | CYP1A2 (0.48) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9132567 | 0.94 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8897258 | 0.92 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9193808 | 0.91 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8896524 | 0.89 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8580525 | 0.89 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9475471 | 0.88 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9221963 | 0.87 | CYP1A2 (0.52) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9191891 | 0.87 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| JP-4112876-A | — | — | None | — | — | JP | disclosed |
| JP-H04112876-A | PYRIMIDINE OR TRIAZINE DERIVATIVE AND HERBICIDE | KUMIAI CHEM IND CO LTD | 1992-04-14 | — | — | JP | disclosed |