Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.31 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.31 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL17135804 | 0.73 | ACHE (0.37) | — | |
| SCHEMBL17147179 | 0.70 | CYP1A2 (0.34) | CYP2A6CYP2C19 | |
| SCHEMBL26104326 | 0.67 | CYP2A6 (0.64) | CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1 | |
| SCHEMBL17135799 | 0.66 | KIF11 (0.41) | — | |
| SCHEMBL1824459 | 0.65 | ALDH1A1 (0.35) | CYP2A6CYP2B6 | |
| SCHEMBL7635776 | 0.65 | ALDH1A1 (0.35) | CYP2A6CYP2B6 | |
| SCHEMBL12947816 | 0.65 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1 | |
| SCHEMBL26951228 | 0.65 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1 | |
| SCHEMBL13750540 | 0.65 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1 | |
| SCHEMBL10162540 | 0.62 | CYP2A6 (0.53) | CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1 |
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-3992176-A1 | EP2 ANTAGONIST | ONO Pharmaceutical Co., Ltd. (JP) | 2022-05-04 | — | — | EP | disclosed |