Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 15/20 | 0.64 |
| ▸ | TRPC5 | Q9UL62 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11967350 | 1.00 | TRPA1 (0.64) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL11954722 | 1.00 | TRPA1 (0.64) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL15827865 | 1.00 | TRPA1 (0.64) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL11895271 | 1.00 | TRPA1 (0.64) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL10435 | 1.00 | TRPA1 (0.64) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL2932 | 1.00 | TRPA1 (0.64) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL15809978 | 0.90 | TRPA1 (0.64) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL2133 | 0.90 | TRPA1 (0.64) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL11967351 | 0.90 | TRPA1 (0.64) | TRPA1TRPC5ESR1PGRHTR2A | |
| SCHEMBL11967563 | 0.90 | TRPA1 (0.64) | 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 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 |