Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.37 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7692912 | 0.73 | ANPEP (0.38) | TRPA1ATMCXCR2SGMS2EGFR | |
| SCHEMBL3879390 | 0.71 | TRPA1 (0.45) | TRPA1ATMCXCR2GABRA1GABRB2 | |
| SCHEMBL7694285 | 0.70 | ALOX12 (0.42) | CXCR2POLBALDH1A1 | |
| SCHEMBL3879337 | 0.69 | CXCR2 (0.46) | TRPA1ATMCXCR2ALDH1A1DHODH | |
| SCHEMBL7688598 | 0.69 | CTSC (0.46) | CXCR2SGMS2POLBALDH1A1CYP1A2 | |
| SCHEMBL28647773 | 0.67 | ALDH1A1 (0.44) | TRPA1ATMCXCR2ALDH1A1CYP1A2 | |
| SCHEMBL3879535 | 0.67 | TRPA1 (0.41) | TRPA1ATMCXCR2GABRA1GABRB2 | |
| SCHEMBL10814735 | 0.66 | TRPA1 (0.52) | TRPA1ATMCXCR2EGFRALDH1A1 | |
| SCHEMBL28057157 | 0.64 | TRPA1 (0.50) | TRPA1ATMCXCR2EGFRALDH1A1 | |
| SCHEMBL27345276 | 0.64 | TRPA1 (0.50) | TRPA1ATMCXCR2EGFRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6339159-B1 | REACTING AN ALDEHYDE COMPOUND, AN AMINO COMPOUND AND HYDROGEN CYANATE IN THE PRESENCE OF A CHIRAL ZIRCONIUM CATALYST OBTAINED BY MIXING ZIRCONIUM ALKOXIDE WITH OPTICALLY ACTIVE BINAPHTHOL COMPOUND TO FORM ALPHA-AMINONITRILE | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2002-01-15 | — | — | US | disclosed |