Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 13/20 | 0.71 |
| ▸ | TRPC5 | Q9UL62 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL11971240 | 1.00 | TRPA1 (0.71) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL11967515 | 1.00 | TRPA1 (0.71) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL3120 | 1.00 | TRPA1 (0.71) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL12095 | 0.86 | TRPA1 (0.52) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL14644 | 0.86 | TRPA1 (0.52) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL15809773 | 0.86 | TRPA1 (0.52) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL14645 | 0.86 | TRPA1 (0.53) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL11954725 | 0.86 | TRPA1 (0.53) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL15809914 | 0.86 | TRPA1 (0.53) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL11966017 | 0.86 | TRPA1 (0.53) | TRPA1TRPC5ESR1PGRHTR2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2485737-A1 | NOVEL TRPA1 ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-08-15 | — | — | EP | claimed |
| WO-2011043954-A1 | NOVEL TRPA1 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-04-14 | — | — | WO | claimed |