Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL4239372 | 0.71 | TRPA1 (0.47) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL2067640 | 0.69 | TRPA1 (0.44) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL2807717 | 0.69 | TRPA1 (0.38) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL1457345 | 0.67 | TRPA1 (0.42) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL369882 | 0.67 | TRPA1 (0.42) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL5320924 | 0.67 | — | — | |
| SCHEMBL5862157 | 0.67 | — | — | |
| SCHEMBL5796214 | 0.67 | ALDH1A1 (0.42) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL19348074 | 0.67 | TRPA1 (0.42) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL11667782 | 0.65 | ALDH1A1 (0.35) | TRPA1ALDH1A1CYP3A4HPGDALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5583235-A | ALKENYLATION, CYCLIZATION | SHAMAN PHARMACEUTICALS, INC. (US) | 1996-12-10 | — | — | US | claimed |
| WO-1995024404-A1 | PREPARATION OF SYMMETRICAL AND UNSYMMETRICAL DITHIIN COMPOUNDS | SHAMAN PHARMACEUTICALS, INC. (US) | 1995-09-14 | — | — | WO | claimed |
| US-5583235-A | ALKENYLATION, CYCLIZATION | SHAMAN PHARMACEUTICALS, INC. (US) | 1996-12-10 | — | — | US | disclosed |
| WO-1995024404-A1 | PREPARATION OF SYMMETRICAL AND UNSYMMETRICAL DITHIIN COMPOUNDS | SHAMAN PHARMACEUTICALS, INC. (US) | 1995-09-14 | — | — | WO | disclosed |