Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | SSTR3 | P32745 | 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 | |
|---|---|---|---|---|
| SCHEMBL10613 | 0.71 | TRPA1 (0.39) | TRPA1DDB1CRBN | |
| SCHEMBL24230553 | 0.71 | DDB1 (0.42) | TRPA1DDB1CRBN | |
| SCHEMBL10109530 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL10388 | 0.68 | DDB1 (0.36) | TRPA1DDB1CRBN | |
| SCHEMBL15013072 | 0.68 | TRPA1 (0.49) | TRPA1DDB1CRBNKCNH2 | |
| SCHEMBL2790916 | 0.67 | DDB1 (0.49) | TRPA1DDB1CRBNKCNH2 | |
| SCHEMBL11954688 | 0.67 | TRPA1 (0.55) | TRPA1DDB1CRBNHSD11B1KCNH2 | |
| SCHEMBL11967091 | 0.67 | TRPA1 (0.55) | TRPA1DDB1CRBNHSD11B1KCNH2 | |
| SCHEMBL15014118 | 0.65 | DDB1 (0.44) | TRPA1DDB1CRBNKCNH2 | |
| SCHEMBL5480634 | 0.65 | DDB1 (0.50) | TRPA1DDB1CRBNKCNH2 |
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-2011043954-A1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-04-14 | — | — | WO | disclosed |