Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.48 |
| ▸ | ERN1 | O75460 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9527033 | 0.77 | CYP2A6 (0.47) | CYP2A6ERN1MEN1LMNATHRB | |
| SCHEMBL2263913 | 0.73 | CYP2A6 (0.57) | CYP2A6ERN1MEN1LMNATHRB | |
| SCHEMBL30430903 | 0.71 | ICAM1 (0.41) | CYP2A6MEN1LMNATHRBBLM | |
| SCHEMBL27687556 | 0.71 | ICAM1 (0.41) | CYP2A6MEN1LMNATHRBBLM | |
| SCHEMBL1894396 | 0.69 | CYP2A6 (0.71) | CYP2A6TDP1PTGS1ALDH1A1 | |
| SCHEMBL4444860 | 0.68 | CYP2A6 (0.44) | CYP2A6ERN1MEN1LMNATHRB | |
| SCHEMBL14178256 | 0.67 | CYP2A6 (0.57) | CYP2A6ERN1MEN1LMNATHRB | |
| SCHEMBL6980313 | 0.67 | CYP2A6 (0.43) | CYP2A6ERN1MEN1LMNATHRB | |
| SCHEMBL6984412 | 0.67 | CYP2A6 (0.47) | CYP2A6MEN1LMNATHRBBLM | |
| SCHEMBL31280833 | 0.67 | CYP2A6 (0.43) | CYP2A6ERN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112638895-A | Organic compound containing chalcogen element, organic semiconductor material, organic semiconductor film, and organic electric field effect transistor | 国立大学法人东京大学 | 2021-04-09 | — | — | CN | disclosed |