Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | GBA1 | P04062 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10685129 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL3975244 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL7148200 | 0.78 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL420473 | 0.76 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL13922066 | 0.74 | ALDH1A1 (0.66) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL30416754 | 0.74 | ADRB2 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL2779200 | 0.74 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL15691925 | 0.74 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL6752911 | 0.73 | ALDH1A1 (0.66) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL3590596 | 0.73 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019149260-A1 | PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2019-08-08 | — | — | WO | disclosed |