Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 5/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | PLA2G7 | Q13093 | 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 | |
|---|---|---|---|---|
| SCHEMBL13022858 | 0.97 | AR (0.35) | ARHDAC6ALDH1A1LMNAGAA | |
| SCHEMBL12979768 | 0.95 | AR (0.34) | ARHDAC6ALDH1A1LMNAGAA | |
| SCHEMBL14943076 | 0.94 | AR (0.33) | ARHDAC6ALDH1A1LMNAGAA | |
| SCHEMBL14943075 | 0.94 | AR (0.33) | ARHDAC6ALDH1A1LMNAGAA | |
| SCHEMBL16684148 | 0.92 | TRPV4 (0.33) | ALDH1A1LMNAGAASMN1; SMN2TRPV4 | |
| SCHEMBL3483982 | 0.92 | TRPV4 (0.33) | ALDH1A1LMNAGAASMN1; SMN2TRPV4 | |
| SCHEMBL14942995 | 0.90 | CYP1A2 (0.32) | ARHDAC6ALDH1A1LMNAGAA | |
| SCHEMBL16684158 | 0.90 | CYP1A2 (0.32) | ARHDAC6ALDH1A1LMNAGAA | |
| SCHEMBL13021466 | 0.90 | TRPV4 (0.33) | ALDH1A1LMNAGAASMN1; SMN2TRPV4 | |
| SCHEMBL13031987 | 0.89 | SLC22A12 (0.34) | ARTRPV4PLA2G7 |
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 |