Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL872695 | 0.85 | TRPA1 (0.53) | TRPA1KDM4EALDH1A1LMNAADRA2A | |
| SCHEMBL28884491 | 0.84 | TRPA1 (0.50) | TRPA1KDM4ELMNA | |
| SCHEMBL5232756 | 0.84 | TRPA1 (0.55) | TRPA1KDM4EALDH1A1LMNACYP2C9 | |
| SCHEMBL7042726 | 0.83 | LMNA (0.54) | TRPA1KDM4EALDH1A1LMNACYP2C9 | |
| SCHEMBL9479604 | 0.83 | TRPA1 (0.68) | TRPA1KDM4EALDH1A1LMNAAOC3 | |
| SCHEMBL29114548 | 0.81 | LMNA (0.50) | TRPA1KDM4ELMNAAOC3 | |
| SCHEMBL28853932 | 0.80 | KDM4E (0.58) | TRPA1KDM4EALDH1A1LMNACYP2C9 | |
| SCHEMBL9820021 | 0.80 | TRPA1 (0.53) | TRPA1KDM4EALDH1A1LMNAAOC3 | |
| SCHEMBL148756 | 0.79 | TRPA1 (0.48) | TRPA1KDM4ELMNA | |
| SCHEMBL108142 | 0.78 | CYP2C9 (0.50) | TRPA1KDM4EALDH1A1LMNACYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0034480-A2 | Alkylation of amines | Grigg, Ronald Ernest (GB) | 1981-08-26 | — | — | EP | disclosed |