Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 11/20 | 0.42 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | PKLR | P30613 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25969142 | 0.89 | HTT (0.47) | TRPA1HTTRAB9AALDH1A1PKM | |
| SCHEMBL25969149 | 0.89 | TRPA1 (0.52) | TRPA1HTTRAB9ANPC1ALDH1A1 | |
| SCHEMBL25969147 | 0.87 | ALDH1A1 (0.47) | TRPA1NPBWR1HTTRAB9AALDH1A1 | |
| SCHEMBL25969061 | 0.87 | TRPA1 (0.44) | TRPA1NPBWR1HTTRAB9ANPC1 | |
| SCHEMBL25968920 | 0.80 | TRPA1 (0.52) | TRPA1 | |
| SCHEMBL25969154 | 0.79 | TRPA1 (0.52) | TRPA1HTTRAB9ANPC1ALDH1A1 | |
| SCHEMBL25970863 | 0.78 | TRPA1 (0.49) | TRPA1HTTRAB9ANPC1ALDH1A1 | |
| SCHEMBL25970867 | 0.77 | TRPA1 (0.53) | TRPA1HTTRAB9ANPC1ALDH1A1 | |
| SCHEMBL25969531 | 0.77 | TRPA1 (0.52) | TRPA1NPBWR1HTTRAB9ANPC1 | |
| SCHEMBL25974095 | 0.77 | TRPA1 (0.55) | TRPA1HTTRAB9ANPC1ALDH1A1 |
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 |