Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 10/20 | 0.53 |
| ▸ | TRPC5 | Q9UL62 | 2/20 | 0.42 |
| ▸ | HRH2 | P25021 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11954725 | 1.00 | TRPA1 (0.53) | TRPA1TRPC5HRH2NPC1RAB9A | |
| SCHEMBL11966017 | 1.00 | TRPA1 (0.53) | TRPA1TRPC5HRH2NPC1RAB9A | |
| SCHEMBL15809914 | 1.00 | TRPA1 (0.53) | TRPA1TRPC5HRH2NPC1RAB9A | |
| SCHEMBL11967515 | 0.86 | TRPA1 (0.71) | TRPA1TRPC5HRH2NPC1RAB9A | |
| SCHEMBL11971240 | 0.86 | TRPA1 (0.71) | TRPA1TRPC5HRH2NPC1RAB9A | |
| SCHEMBL11227 | 0.86 | TRPA1 (0.71) | TRPA1TRPC5HRH2NPC1RAB9A | |
| SCHEMBL3120 | 0.86 | TRPA1 (0.71) | TRPA1TRPC5HRH2NPC1RAB9A | |
| SCHEMBL11895423 | 0.85 | TRPA1 (0.73) | TRPA1TRPC5HRH2NPC1RAB9A | |
| SCHEMBL15809851 | 0.84 | TRPA1 (0.52) | TRPA1TRPC5HRH2NPC1RAB9A | |
| SCHEMBL2522 | 0.84 | TRPA1 (0.52) | TRPA1TRPC5HRH2NPC1RAB9A |
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 |