Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.33 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29776217 | 0.89 | GAA (0.44) | ALDH1A1GAACES2BCHECES1 | |
| SCHEMBL2754774 | 0.89 | GAA (0.44) | ALDH1A1GAACES2BCHECES1 | |
| SCHEMBL15030646 | 0.87 | GAA (0.43) | ALDH1A1GAACES2BCHECES1 | |
| SCHEMBL20202064 | 0.85 | ALDH1A1 (0.44) | ALDH1A1GAACES2BCHECES1 | |
| SCHEMBL2754776 | 0.83 | GAA (0.51) | ALDH1A1GAACES2BCHECES1 | |
| SCHEMBL29357946 | 0.83 | GAA (0.51) | ALDH1A1GAACES2BCHECES1 | |
| SCHEMBL12354654 | 0.83 | ALDH1A1 (0.40) | ALDH1A1GAACES2BCHECES1 | |
| SCHEMBL20383375 | 0.80 | MEN1 (0.47) | ALDH1A1GAACES2BCHECES1 | |
| SCHEMBL13705893 | 0.79 | ALDH1A1 (0.53) | ALDH1A1GAACES2BCHECES1 | |
| SCHEMBL19953872 | 0.79 | PDK2 (0.41) | ALDH1A1GAACES2BCHECES1 |
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-20170141323-A1 | ORGANIC LIGHT-EMITTING DEVICE | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2017-05-18 | — | — | US | disclosed |