Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL22156385 | 0.83 | TSHR (0.42) | TRPA1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL708994 | 0.80 | ALDH1A1 (0.38) | TSHRALDH1A1CYP3A4ALOX15CASP1 | |
| SCHEMBL21081220 | 0.80 | TSHR (0.40) | TRPA1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL3766807 | 0.76 | TSHR (0.40) | TRPA1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL3820403 | 0.74 | TSHR (0.59) | TSHRALDH1A1CYP3A4ALOX15CASP1 | |
| SCHEMBL7868990 | 0.74 | TAAR1 (0.52) | TSHRALDH1A1CYP3A4ALOX15CASP1 | |
| SCHEMBL111291 | 0.74 | TSHR (0.59) | TSHRALDH1A1CYP3A4ALOX15CASP1 | |
| SCHEMBL10598514 | 0.72 | TRPA1 (0.64) | TRPA1TSHRALDH1A1TAAR1 | |
| SCHEMBL8573119 | 0.72 | TSHR (0.42) | TRPA1TSHRALDH1A1CYP3A4ALOX15 | |
| SCHEMBL10589371 | 0.72 | TSHR (0.38) | TSHRALDH1A1CYP3A4ALOX15CASP1 |
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-2192115-B1 | 1,3-DIMETHYLBUTYLCARBOXANILIDES FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS | BAYER CROPSCIENCE AG (DE) | 2014-02-12 | — | — | EP | disclosed |