Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | IAPP | P10997 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5375049 | 0.84 | TYR (0.47) | TRPA1GABRA1GABRB2IAPPCYP3A4 | |
| SCHEMBL685057 | 0.83 | TYR (0.47) | TRPA1IAPPCYP3A4APPALOX5 | |
| SCHEMBL685783 | 0.81 | TYR (0.50) | TRPA1CYP3A4APPALOX5MAPT | |
| SCHEMBL11760568 | 0.81 | TYR (0.50) | TRPA1CYP3A4APPALOX5MAPT | |
| SCHEMBL685704 | 0.81 | TRPA1 (0.48) | TRPA1GABRA1GABRB2ALDH1A1CYP3A4 | |
| SCHEMBL30101971 | 0.81 | TRPA1 (0.48) | TRPA1GABRA1GABRB2ALDH1A1CYP3A4 | |
| SCHEMBL5372285 | 0.80 | TRPA1 (0.49) | TRPA1GABRA1GABRB2IAPPALDH1A1 | |
| SCHEMBL14761059 | 0.80 | TRPA1 (0.44) | TRPA1GABRA1GABRB2ALDH1A1CYP3A4 | |
| SCHEMBL15524311 | 0.80 | TRPA1 (0.44) | TRPA1GABRA1GABRB2ALDH1A1CYP3A4 | |
| SCHEMBL13899836 | 0.79 | TRPA1 (0.50) | TRPA1GABRA1GABRB2ALDH1A1CYP3A4 |
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-6331244-B1 | CHEMIRESISTOR ELEMENTS; ELECTRICAL LEADS CONNECTED TO AND SEPARATED BY A CHEMICALLY SENSITIVE RESISTOR; CONDUCTIVE MATERIAL (POLYPYRROLE) IS HELD CONSTANT WHILE THE NONCONDUCTIVE ORGANIC POLYMER (DIFFERENT PLASTICS SUCH AS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2001-12-18 | — | — | US | disclosed |