Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | BLM | P54132 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | HMGCR | P04035 | 2/20 | 0.49 |
| ▸ | GSR | P00390 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.45 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11268336 | 0.79 | ALDH1A1 (0.55) | ALDH1A1MAPTTSHRMAPK1MEN1 | |
| SCHEMBL8125562 | 0.79 | ALDH1A1 (0.55) | ALDH1A1MAPTTSHRMAPK1MEN1 | |
| SCHEMBL4729051 | 0.78 | ALDH1A1 (0.65) | ALDH1A1MAPTTSHRMAPK1MEN1 | |
| SCHEMBL11255605 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPTTSHRMAPK1MEN1 | |
| SCHEMBL28834405 | 0.77 | HMGCR (0.49) | ALDH1A1MAPTTSHRMAPK1MEN1 | |
| Hydrochloric Acid SCHEMBL8118458 | 0.76 | ALDH1A1 (0.49) | ALDH1A1MAPTTSHRMAPK1MEN1 | |
| SCHEMBL28255084 | 0.76 | ALDH1A1 (0.49) | ALDH1A1MAPTTSHRMAPK1MEN1 | |
| SCHEMBL10780449 | 0.75 | ALDH1A1 (0.49) | ALDH1A1MAPTTSHRMAPK1MEN1 | |
| SCHEMBL39082 | 0.74 | HMGCR (0.57) | ALDH1A1MAPTTSHRMAPK1MEN1 | |
| SCHEMBL11540530 | 0.74 | GAA (0.47) | ALDH1A1MAPTTSHRMAPK1MEN1 |
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-4456771-A | Chemical process for preparing 1,3-diketones | ETHYL CORPORATION (US) | 1984-06-26 | — | — | US | disclosed |