Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL4263860 | 0.88 | ALDH1A1 (0.48) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL6548055 | 0.78 | TSHR (0.43) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL9287637 | 0.77 | — | — | |
| SCHEMBL97780 | 0.72 | TSHR (0.56) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| Allitridin SCHEMBL562845 | 0.72 | — | — | |
| Allitridin SCHEMBL28776713 | 0.72 | TRPA1 (1.00) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| Hydrochloric Acid SCHEMBL180144 | 0.70 | TSHR (0.53) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| Hydrochloric Acid SCHEMBL1844352 | 0.70 | TSHR (0.53) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL4254791 | 0.70 | TSHR (0.62) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL2929093 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009109501-A2 | OCULAR PHARMACEUTICAL COMPOSITIONS | CTG PHARMA S.R.L. (IT) | 2009-09-11 | — | — | WO | disclosed |