Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | NQO2 | P16083 | 4/20 | 0.38 |
| ▸ | ABL1 | P00519 | 3/20 | 0.38 |
| ▸ | BCR | P11274 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 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 | |
|---|---|---|---|---|
| SCHEMBL16961353 | 0.88 | ALDH1A1 (0.37) | ALDH1A1CYP1A1CYP1B1NQO2CYP19A1 | |
| SCHEMBL16956468 | 0.88 | ALDH1A1 (0.37) | ALDH1A1CYP1A1CYP1B1CYP3A4MAPT | |
| SCHEMBL16959318 | 0.87 | ESR1 (0.46) | ALDH1A1CYP1A1CYP1B1ABL1BCR | |
| SCHEMBL16952292 | 0.86 | ALDH1A1 (0.36) | ALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL16955772 | 0.86 | AHR (0.37) | ALDH1A1CYP1A1CYP1B1ABL1BCR | |
| SCHEMBL16958900 | 0.86 | NQO2 (0.37) | ALDH1A1CYP1A1CYP1B1CYP1A2NQO2 | |
| SCHEMBL16951660 | 0.86 | ALDH1A1 (0.36) | ALDH1A1CYP1A1CYP1B1 | |
| SCHEMBL16959946 | 0.86 | ALDH1A1 (0.37) | ALDH1A1CYP1A1CYP1B1NQO2 | |
| SCHEMBL16957998 | 0.84 | KMT2A (0.41) | ALDH1A1TTRALOX5CYP19A1TUBB4A | |
| SCHEMBL16957251 | 0.83 | PTGS2 (0.36) | ALDH1A1CYP1A1CYP1B1CYP19A1PTGS2 |
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 |