Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7520071 | 0.86 | ALDH1A1 (0.48) | ALDH1A1HPGDGAATRPV1NAMPT | |
| SCHEMBL7522160 | 0.78 | HPGD (0.56) | HPGDGAA | |
| SCHEMBL7526977 | 0.76 | HPGD (0.58) | HPGDGAATRPV1DRD3 | |
| SCHEMBL7530901 | 0.74 | EPHX2 (0.49) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7522187 | 0.73 | RECQL (0.52) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7519337 | 0.73 | KMT2A (0.43) | ALDH1A1HPGDCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL7533120 | 0.73 | EPHX2 (0.51) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12504008 | 0.72 | KMT2A (0.42) | ALDH1A1HPGDCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL7565858 | 0.72 | NAMPT (0.51) | ALDH1A1HPGDGAATRPV1NAMPT | |
| SCHEMBL12593274 | 0.71 | CYP1A2 (0.33) | HPGDCYP1A2CYP2C9CYP2C19 |
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-1838304-B1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORP (US) | 2009-08-19 | — | — | EP | disclosed |