Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1609873 | 0.78 | — | — | |
| SCHEMBL1611736 | 0.76 | CYP2A6 (0.35) | CYP2A6CYP1A2ALDH1A1TSHRACHE | |
| SCHEMBL2561047 | 0.75 | CYP2A6 (0.43) | CYP2A6CYP1A2ALDH1A1TSHRACHE | |
| SCHEMBL1610022 | 0.75 | HRH3 (0.36) | CYP2A6CYP1A2ALDH1A1HTR1DKDM4E | |
| SCHEMBL1235826 | 0.75 | MAPT (0.44) | CYP2A6CYP1A2ALDH1A1TSHRACHE | |
| SCHEMBL1612730 | 0.75 | CYP1A2 (0.33) | CYP2A6CYP1A2ALDH1A1TSHRACHE | |
| SCHEMBL1610073 | 0.75 | ESR1 (0.41) | CYP2A6CYP1A2ALDH1A1TSHRACHE | |
| SCHEMBL9222448 | 0.73 | CYP2A6 (0.42) | CYP2A6CYP1A2ALDH1A1TSHRACHE | |
| SCHEMBL1610053 | 0.73 | TAAR1 (0.46) | ALDH1A1TSHRACHETAAR1MEN1 | |
| SCHEMBL1610830 | 0.73 | MEN1 (0.33) | CYP2A6CYP1A2ALDH1A1TSHRACHE |
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-2248818-A1 | ORGANIC SEMICONDUCTOR MATERIAL | Sumitomo Chemical Company, Limited (JP) | 2010-11-10 | — | — | EP | disclosed |