Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL1609872 | 0.77 | CYP1A2 (0.30) | CYP1A2CYP2A6TSHR | |
| SCHEMBL1610019 | 0.74 | RAPGEF4 (0.36) | CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL1610072 | 0.73 | TRPA1 (0.39) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL9196607 | 0.72 | TSHR (0.52) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL1610051 | 0.72 | TSHR (0.52) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL18050325 | 0.71 | CYP1A2 (0.47) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL18050326 | 0.71 | CYP1A2 (0.47) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL1612728 | 0.70 | CYP1A2 (0.32) | CYP1A2CYP2A6TSHRACHEALDH1A1 | |
| SCHEMBL1611167 | 0.69 | GABRA1 (0.44) | TSHR | |
| SCHEMBL1611090 | 0.68 | — | — |
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 |