Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21501052 | 0.89 | HSD11B1 (0.67) | ALDH1A1GAAHSD11B1POLBKMT2A | |
| SCHEMBL19597541 | 0.89 | ALDH1A1 (0.70) | ALDH1A1GAAHSD11B1POLBKMT2A | |
| SCHEMBL19597540 | 0.89 | ALDH1A1 (0.70) | ALDH1A1GAAHSD11B1POLBKMT2A | |
| SCHEMBL21501050 | 0.87 | ALDH1A1 (0.56) | ALDH1A1GAAHSD11B1POLBKMT2A | |
| SCHEMBL1597751 | 0.87 | ALDH1A1 (0.57) | ALDH1A1GAAHSD11B1POLBKMT2A | |
| SCHEMBL21501019 | 0.87 | ALDH1A1 (0.56) | ALDH1A1GAAHSD11B1POLBKMT2A | |
| SCHEMBL23201840 | 0.86 | MAPT (0.58) | ALDH1A1GAAHSD11B1POLBKMT2A | |
| SCHEMBL21501021 | 0.86 | MAPT (0.58) | ALDH1A1GAAHSD11B1POLBKMT2A | |
| SCHEMBL6635286 | 0.83 | ALDH1A1 (0.80) | ALDH1A1GAAPOLBKMT2AL3MBTL1 | |
| SCHEMBL21914164 | 0.83 | ALDH1A1 (0.80) | ALDH1A1GAAPOLBKMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019204477-A1 | PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2019-10-24 | — | — | WO | disclosed |