Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | BRCA1 | P38398 | 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 | |
|---|---|---|---|---|
| SCHEMBL7584411 | 0.90 | KMT2A (0.32) | ALDH1A1KDM4EMAPTLMNAGAA | |
| SCHEMBL7582435 | 0.89 | BACE1 (0.34) | ALDH1A1BACE1 | |
| SCHEMBL13055337 | 0.89 | ALDH1A1 (0.35) | ALDH1A1KDM4EMAPTLMNAGAA | |
| SCHEMBL7562877 | 0.89 | ALDH1A1 (0.35) | ALDH1A1KDM4EMAPTLMNAGAA | |
| SCHEMBL7589838 | 0.87 | BACE1 (0.36) | BACE1 | |
| SCHEMBL7584784 | 0.85 | RORC (0.33) | ALDH1A1BACE1 | |
| SCHEMBL7582050 | 0.84 | — | — | |
| SCHEMBL7584647 | 0.84 | OPRM1 (0.31) | BACE1 | |
| SCHEMBL7584371 | 0.84 | BACE1 (0.31) | BACE1 | |
| SCHEMBL7584231 | 0.84 | ELANE (0.33) | KDM4EBACE1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |