Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16955389 | 0.85 | GABRA1 (0.35) | TSHR | |
| SCHEMBL16953797 | 0.83 | HSPA5 (0.33) | — | |
| SCHEMBL16960544 | 0.82 | HMGCR (0.41) | HMGCRTP53TSHR | |
| SCHEMBL16952827 | 0.80 | THRB (0.38) | — | |
| SCHEMBL16956190 | 0.80 | OPRM1 (0.35) | — | |
| SCHEMBL16961126 | 0.80 | SLC7A5 (0.39) | — | |
| SCHEMBL16951775 | 0.78 | GABRA1 (0.31) | TSHR | |
| SCHEMBL16953752 | 0.78 | HMGCR (0.38) | HMGCR | |
| SCHEMBL16962500 | 0.78 | GABRA1 (0.31) | — | |
| SCHEMBL16954138 | 0.78 | OPRM1 (0.32) | HMGCR |
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 |