Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 5/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16953789 | 0.88 | ALDH1A1 (0.48) | ALDH1A1NQO2PDE4APDE4BPDE4C | |
| SCHEMBL16950491 | 0.81 | LMNA (0.46) | CYP3A4ALDH1A1ACHEMAPTKDM4E | |
| SCHEMBL16961574 | 0.81 | KAT6A (0.40) | ALDH1A1MEN1KMT2A | |
| SCHEMBL16952290 | 0.80 | ALDH1A1 (0.34) | CYP3A4ALDH1A1NQO2PDE4APDE4B | |
| SCHEMBL16958898 | 0.80 | NPC1 (0.36) | ALDH1A1NQO2PDE4APDE4BPDE4C | |
| SCHEMBL16951658 | 0.80 | NPC1 (0.36) | ALDH1A1NQO2PDE4APDE4BPDE4C | |
| SCHEMBL16955769 | 0.80 | AHR (0.36) | ALDH1A1NQO2PDE4APDE4BPDE4C | |
| SCHEMBL12663239 | 0.79 | PDE4A (0.41) | CYP3A4ALDH1A1PTPN1ACHENQO2 | |
| SCHEMBL16956058 | 0.78 | ALDH1A1 (0.43) | CYP3A4ALDH1A1PTPN1ACHENQO2 | |
| SCHEMBL16961351 | 0.77 | PDE4A (0.33) | ALDH1A1NQO2PDE4APDE4BPDE4C |
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 |