Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4022997 | 0.70 | MAPT (0.48) | CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL5601525 | 0.70 | NOTUM (0.40) | CYP2A6CYP2B6CYP3A4ADORA2AADORA1 | |
| SCHEMBL3500357 | 0.70 | CYP2A6 (0.42) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 | |
| SCHEMBL2125063 | 0.69 | CYP2A6 (0.72) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 | |
| SCHEMBL3284404 | 0.69 | — | — | |
| SCHEMBL5888122 | 0.67 | NOTUM (0.39) | CYP2A6TDO2IKBKBADORA2AADORA1 | |
| SCHEMBL27989815 | 0.65 | CYP2A6 (0.74) | CYP2A6CYP2B6CYP2E1KCNH2CYP3A4 | |
| SCHEMBL13977897 | 0.64 | CYP2A6 (0.50) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 | |
| SCHEMBL10730554 | 0.64 | KDM4E (0.42) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL8034177 | 0.63 | CYP2A6 (0.39) | CYP2A6CYP2B6CYP2E1KCNH2TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4639447-A | Azolylnitriles, and fungicides containing these compounds | BASF AKTIENGESELLSCHAFT (DE) | 1987-01-27 | — | — | US | disclosed |