Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 14/20 | 0.52 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25969149 | 0.90 | TRPA1 (0.52) | TRPA1HTTALDH1A1RAB9AMEN1 | |
| SCHEMBL25970863 | 0.88 | TRPA1 (0.49) | TRPA1HTTALDH1A1RAB9AMEN1 | |
| SCHEMBL25969838 | 0.87 | TRPA1 (0.53) | TRPA1HTTALDH1A1RAB9AMEN1 | |
| SCHEMBL25974095 | 0.87 | TRPA1 (0.55) | TRPA1HTTALDH1A1RAB9AMEN1 | |
| SCHEMBL25969531 | 0.87 | TRPA1 (0.52) | TRPA1HTTALDH1A1RAB9AMEN1 | |
| SCHEMBL25970867 | 0.85 | TRPA1 (0.53) | TRPA1HTTALDH1A1RAB9AMEN1 | |
| SCHEMBL25969660 | 0.85 | TRPA1 (0.53) | TRPA1HTTALDH1A1RAB9AMEN1 | |
| SCHEMBL25969052 | 0.82 | TRPA1 (0.53) | TRPA1HTTALDH1A1RAB9AMEN1 | |
| SCHEMBL25968636 | 0.82 | TRPA1 (0.53) | TRPA1HTTALDH1A1RAB9AMEN1 | |
| SCHEMBL25968552 | 0.81 | TRPA1 (0.59) | TRPA1 |
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-2023150591-A2 | PYRIDAZINONE COMPOUNDS AS TRPA1 INHIBITORS | D.E. SHAW RESEARCH, LLC (US) | 2023-08-10 | — | — | WO | disclosed |