Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2929093 | 0.95 | — | — | |
| SCHEMBL1300739 | 0.84 | — | — | |
| Diallyldisulfide SCHEMBL17378205 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TRPA1CYP3A4HPGDALOX15 | |
| Diallyl Tetrasulfide SCHEMBL389609 | 0.81 | TRPA1 (0.86) | ALDH1A1TRPA1CYP3A4HPGDALOX15 | |
| Methyl Alcohol SCHEMBL28904036 | 0.80 | ALDH1A1 (0.55) | ALDH1A1TRPA1CYP3A4HPGDALOX15 | |
| SCHEMBL2987869 | 0.78 | TRPA1 (0.80) | ALDH1A1TRPA1CYP3A4HPGDALOX15 | |
| SCHEMBL392677 | 0.78 | TRPA1 (0.80) | ALDH1A1TRPA1CYP3A4HPGDALOX15 | |
| SCHEMBL389755 | 0.78 | TRPA1 (0.80) | ALDH1A1TRPA1CYP3A4HPGDALOX15 | |
| SCHEMBL112636 | 0.78 | TDP1 (0.32) | — | |
| Propene SCHEMBL27582609 | 0.76 | TRPA1 (0.36) | ALDH1A1TRPA1CYP3A4HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-108070118-A | Pneumatic tire | 固特异轮胎和橡胶公司 | 2018-05-25 | — | — | CN | disclosed |