Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 7/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL14942995 | 1.00 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2D6CYP2C9HPGD | |
| SCHEMBL14942996 | 0.96 | AR (0.33) | CYP1A2CYP3A4CYP2D6CYP2C9HPGD | |
| SCHEMBL16684145 | 0.90 | AR (0.33) | CYP1A2CYP3A4CYP2D6CYP2C9HPGD | |
| SCHEMBL14943025 | 0.90 | TRPV4 (0.33) | CYP1A2CYP3A4CYP2D6CYP2C9HPGD | |
| SCHEMBL14943028 | 0.90 | TRPV4 (0.33) | CYP1A2CYP3A4CYP2D6CYP2C9HPGD | |
| SCHEMBL14943075 | 0.88 | AR (0.33) | CYP1A2CYP3A4CYP2D6CYP2C9HPGD | |
| SCHEMBL14943076 | 0.88 | AR (0.33) | CYP1A2CYP3A4CYP2D6CYP2C9HPGD | |
| SCHEMBL13022858 | 0.87 | AR (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9HPGD | |
| SCHEMBL13031987 | 0.86 | SLC22A12 (0.34) | AR | |
| SCHEMBL12979768 | 0.86 | AR (0.34) | CYP1A2CYP3A4CYP2D6CYP2C9HPGD |
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-2049200-B1 | NOVEL INHIBITORS OF BETA-LACTAMASE | METHYLGENE INC (CA) | 2015-04-29 | — | — | EP | disclosed |