Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | CASP5 | P51878 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | USP2 | O75604 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | CHKA | P35790 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6028265 | 0.93 | ALDH1A1 (0.67) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL31010361 | 0.91 | ALDH1A1 (0.70) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL8974017 | 0.87 | ALDH1A1 (0.60) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL545692 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL29967920 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL10104420 | 0.81 | ALDH1A1 (0.58) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL545978 | 0.80 | ALDH1A1 (0.60) | ALDH1A1KDM4EGAACASP1CASP5 | |
| Hydrochloric Acid SCHEMBL30349712 | 0.80 | ALDH1A1 (0.56) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL13960087 | 0.80 | ALDH1A1 (0.60) | ALDH1A1KDM4EGAACASP1CASP5 | |
| SCHEMBL7812427 | 0.79 | CHKA (0.68) | ALDH1A1KDM4EGAACASP1CASP5 |
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-2015130957-A1 | HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL | Zalicus Pharmaceuticals, Ltd. (US) | 2015-09-03 | — | — | WO | disclosed |