Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | SLC13A5 | Q86YT5 | 11/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6420340 | 0.89 | CYP2C19 (0.42) | ALDH1A1CYP2C19HIF1ASLC13A5KDM4E | |
| SCHEMBL27469877 | 0.85 | CYP2C19 (0.39) | ALDH1A1CYP2C19HIF1ASLC13A5KDM4E | |
| SCHEMBL6420344 | 0.84 | CYP2C19 (0.40) | ALDH1A1CYP2C19HIF1ASLC13A5KDM4E | |
| SCHEMBL7607187 | 0.83 | CYP2C19 (0.42) | ALDH1A1CYP2C19HIF1AMEN1CYP1A2 | |
| Citric Acid SCHEMBL27746321 | 0.81 | CYP2C19 (0.45) | ALDH1A1CYP2C19HIF1ASLC13A5KDM4E | |
| SCHEMBL27800485 | 0.81 | CYP2C19 (0.36) | ALDH1A1CYP2C19HIF1ASLC13A5KDM4E | |
| SCHEMBL240550 | 0.78 | SLC13A5 (0.46) | ALDH1A1CYP2C19HIF1ASLC13A5KDM4E | |
| SCHEMBL104571 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP2C19HIF1ASLC13A5KDM4E | |
| SCHEMBL6600932 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP2C19HIF1ASLC13A5KDM4E | |
| Citric Acid SCHEMBL29022828 | 0.76 | HIF1A (0.58) | ALDH1A1CYP2C19HIF1ASLC13A5KDM4E |
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-1266655-A1 | ENTERIC GRANULAR PREPARATIONS OF HARDLY WATER SOLUBLE DRUGS CHARACTERIZED BY CONTAINING WATER-REPELLENT COMPONENT | SHIONOGI & CO., LTD. (JP) | 2002-12-18 | — | — | EP | disclosed |