Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL207038 | 0.92 | TRPA1 (0.57) | TRPA1ATMTP53TDP1SCN5A | |
| SCHEMBL30388902 | 0.92 | TRPA1 (0.57) | TRPA1ATMTP53TDP1SCN5A | |
| Ammonia Solution, Strong SCHEMBL1065150 | 0.89 | TRPA1 (0.55) | TRPA1ATMTP53TDP1SCN5A | |
| Phosphine SCHEMBL1067227 | 0.89 | TRPA1 (0.55) | TRPA1ATMTP53TDP1SCN5A | |
| Hydrochloric Acid SCHEMBL6039932 | 0.86 | TRPA1 (0.52) | TRPA1ATMTP53TDP1SCN5A | |
| Dimethylamine SCHEMBL675006 | 0.84 | TRPA1 (0.50) | TRPA1ATMTP53TDP1SCN5A | |
| Alcohol SCHEMBL28492687 | 0.82 | TRPA1 (0.48) | TRPA1ATMTP53TDP1SCN5A | |
| SCHEMBL16852427 | 0.82 | TRPA1 (0.48) | TRPA1ATMTP53TDP1SCN5A | |
| Acetic Acid SCHEMBL6557428 | 0.80 | TRPA1 (0.46) | TRPA1ATMTP53TDP1SCN5A | |
| Formic Acid SCHEMBL9009952 | 0.80 | TRPA1 (0.46) | TRPA1ATMTP53TDP1SCN5A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1159799-A | Hydrocyanation process and multidentate phosphite and nickel catalyst composition therefor | DU PONT (US) | 1997-09-17 | — | — | CN | disclosed |