Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | PDXK | O00764 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11458309 | 0.84 | KDM4E (0.49) | ALDH1A1KDM4EHPGDHSD17B10CYP2D6 | |
| SCHEMBL11460357 | 0.84 | KDM4E (0.49) | ALDH1A1KDM4EHPGDHSD17B10CYP2D6 | |
| SCHEMBL11457157 | 0.77 | KDM4E (0.59) | ALDH1A1KDM4EHPGDHSD17B10CYP2D6 | |
| Hydrochloric Acid SCHEMBL11460133 | 0.76 | KDM4E (0.58) | ALDH1A1KDM4EHPGDHSD17B10CYP2D6 | |
| Pyridoxine SCHEMBL5351372 | 0.75 | KDM4E (0.61) | ALDH1A1KDM4EHPGDHSD17B10CYP2D6 | |
| SCHEMBL12974505 | 0.73 | KDM4E (0.54) | ALDH1A1KDM4EHPGDHSD17B10CYP2D6 | |
| SCHEMBL5351375 | 0.72 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDHSD17B10CYP2D6 | |
| SCHEMBL11459258 | 0.72 | KDM4E (0.58) | ALDH1A1KDM4EHPGDHSD17B10CYP2D6 | |
| SCHEMBL11460033 | 0.72 | KDM4E (0.58) | ALDH1A1KDM4EHPGDHSD17B10CYP2D6 | |
| Hydrochloric Acid SCHEMBL11450075 | 0.71 | KDM4E (0.56) | ALDH1A1KDM4EHPGDHSD17B10CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4212976-A | ANTIARTHRITIC AGENTS | MERCK & CO., INC. (US) | 1980-07-15 | — | — | US | disclosed |
| US-4057637-A | RHEUMATOID ARTHRITIS | MERCK & CO., INC. (US) | 1977-11-08 | — | — | US | disclosed |
| US-3971797-A | ANTIARTHRITIC | MERCK & CO., INC. (US) | 1976-07-27 | — | — | US | disclosed |