Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 9/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.36 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.36 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12733048 | 0.85 | HDAC1 (0.38) | HDAC1KCNA5KCNH2MMP1MMP13 | |
| SCHEMBL12733261 | 0.83 | OPRM1 (0.36) | HDAC1ALDH1A1GRM2LMNA | |
| SCHEMBL12812830 | 0.82 | QPCT (0.42) | HDAC1KCNA5KCNH2MMP1MMP13 | |
| SCHEMBL12733250 | 0.81 | HDAC1 (0.38) | HDAC1KCNA5KCNH2MMP1MMP13 | |
| SCHEMBL16864400 | 0.81 | HDAC1 (0.36) | HDAC1KCNA5KCNH2MMP1MMP13 | |
| SCHEMBL12812821 | 0.71 | MMP1 (0.53) | MMP1MMP13ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL1443506 | 0.70 | MEN1 (0.42) | HDAC1ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL12733047 | 0.69 | QPCT (0.42) | — | |
| SCHEMBL12733267 | 0.67 | QPCT (0.49) | — | |
| SCHEMBL3592742 | 0.66 | CETP (0.51) | ALDH1A1CYP3A4CYP2C9TSHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011029920-A1 | HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE | PROBIODRUG AG (DE) | 2011-03-17 | — | — | WO | disclosed |