Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16958090 | 0.83 | CA2 (0.38) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL8421248 | 0.81 | CA2 (0.50) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL16957820 | 0.76 | CA2 (0.41) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL16956053 | 0.76 | TSHR (0.35) | CA2ALDH1A1TSHR | |
| SCHEMBL16951909 | 0.75 | KCNH2 (0.33) | — | |
| SCHEMBL16958838 | 0.74 | CA2 (0.40) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL16953359 | 0.74 | CA2 (0.40) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL6941036 | 0.74 | GABRA1 (0.52) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL16961790 | 0.74 | CYP1A2 (0.33) | ALDH1A1TSHR | |
| SCHEMBL2815255 | 0.72 | ALDH1A1 (0.56) | CA2GABRA1GABRB2ALDH1A1TSHR |
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 |