Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NQO2 | P16083 | 4/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 7/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16956465 | 0.88 | CYP3A4 (0.36) | ALDH1A1NQO2CYP1A1CYP1B1PDE4A | |
| SCHEMBL16959944 | 0.88 | PDE4A (0.41) | ALDH1A1NQO2PDE4APDE4BPDE4C | |
| SCHEMBL16959315 | 0.88 | ESR1 (0.45) | ALDH1A1NQO2PDE4APDE4BPDE4C | |
| SCHEMBL16957995 | 0.88 | MEN1 (0.43) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16955769 | 0.87 | AHR (0.36) | ALDH1A1NQO2CYP1A1CYP1B1PDE4A | |
| SCHEMBL16952290 | 0.87 | ALDH1A1 (0.34) | ALDH1A1NQO2CYP1A1CYP1B1PDE4A | |
| SCHEMBL16958898 | 0.87 | NPC1 (0.36) | ALDH1A1NQO2PDE4APDE4BPDE4C | |
| SCHEMBL16951658 | 0.87 | NPC1 (0.36) | ALDH1A1NQO2CYP1A1CYP1B1PDE4A | |
| SCHEMBL16958542 | 0.84 | CA1 (0.38) | ALDH1A1NQO2PDE4APDE4BPDE4C | |
| SCHEMBL16961351 | 0.84 | PDE4A (0.33) | ALDH1A1NQO2CYP1A1CYP1B1PDE4A |
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-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |