Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL16951332 | 0.85 | CA2 (0.37) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL16960058 | 0.82 | CA2 (0.43) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL16953157 | 0.79 | TSHR (0.32) | ALDH1A1TSHR | |
| SCHEMBL16955646 | 0.79 | MEN1 (0.33) | — | |
| SCHEMBL16953467 | 0.79 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL16958533 | 0.79 | CA2 (0.43) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL16951370 | 0.78 | KCNH2 (0.30) | — | |
| SCHEMBL16952592 | 0.78 | CES2 (0.32) | — | |
| SCHEMBL16960328 | 0.78 | — | — | |
| SCHEMBL16960823 | 0.78 | PYCR1 (0.33) | — |
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 |