Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CKS1B | P61024 | 1/20 | 0.34 |
| ▸ | SKP1 | P63208 | 1/20 | 0.34 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28858884 | 0.81 | ALDH1A1 (0.35) | CTSKALDH1A1EPHX1EPHX2 | |
| SCHEMBL16418439 | 0.81 | CTSK (0.42) | CTSKALDH1A1EPHX1CA1CA2 | |
| SCHEMBL28865513 | 0.79 | ALDH1A1 (0.58) | ALDH1A1DRD2CKS1BSKP1SKP2 | |
| SCHEMBL2016955 | 0.75 | EPHX1 (0.68) | CTSKALDH1A1EPHX1CA1CA2 | |
| SCHEMBL12482202 | 0.74 | SSTR4 (0.42) | ALDH1A1 | |
| SCHEMBL16349436 | 0.74 | ALDH1A1 (0.38) | ALDH1A1EPHX2GAALMNANPSR1 | |
| SCHEMBL18166970 | 0.74 | CHRM2 (0.38) | ALDH1A1HSD11B1GAA | |
| SCHEMBL8484816 | 0.74 | CTSK (0.50) | CTSKEPHX1CA1CA2HSD11B1 | |
| SCHEMBL2050427 | 0.73 | — | — | |
| SCHEMBL8464579 | 0.73 | EPHX1 (0.46) | ALDH1A1EPHX1EPHX2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105399698-A | Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines | GUANGDONG HEC PHARMACEUTICAL | 2016-03-16 | — | — | CN | disclosed |