Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 8/20 | 0.44 |
| ▸ | PPARA | Q07869 | 8/20 | 0.44 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 5/20 | 0.39 |
| ▸ | CTSS | P25774 | 4/20 | 0.39 |
| ▸ | REN | P00797 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19164900 | 1.00 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL19165406 | 0.86 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL19136565 | 0.86 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL19136564 | 0.86 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL19656625 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL9809033 | 0.81 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL19165312 | 0.81 | CA1 (0.44) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL19197492 | 0.81 | CA1 (0.44) | CYP1A2CYP2C9CYP2C19HTTPPARG | |
| SCHEMBL21284248 | 0.80 | CTSK (0.43) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL2726957 | 0.80 | CTSK (0.43) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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-2017132014-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2017-08-03 | — | — | WO | disclosed |