Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.59 |
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA6 | P23280 | 2/20 | 0.59 |
| ▸ | CA5A | P35218 | 2/20 | 0.59 |
| ▸ | CA7 | P43166 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | RAPGEF4 | Q8WZA2 | 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 | |
|---|---|---|---|---|
| SCHEMBL435704 | 0.89 | CA1 (0.73) | CA2CA12CA1CA6CA5A | |
| SCHEMBL3284674 | 0.86 | GAA (0.57) | CA2CA12CA1CA6CA5A | |
| SCHEMBL7185475 | 0.85 | ALDH1A1 (0.69) | CA2CA12CA1CA6CA5A | |
| SCHEMBL11112123 | 0.84 | CA12 (0.61) | CA2CA12CA1CA6CA5A | |
| SCHEMBL28822994 | 0.83 | ALDH1A1 (0.71) | CA2CA12CA1CA6CA5A | |
| SCHEMBL4607820 | 0.82 | CA2 (0.59) | CA2CA12CA1CA6CA5A | |
| SCHEMBL11323503 | 0.80 | CA1 (0.57) | CA2CA12CA1CA6CA5A | |
| SCHEMBL10541393 | 0.79 | GAA (0.57) | CA2CA12CA1CA6CA5A | |
| SCHEMBL5464785 | 0.79 | GAA (0.57) | CA2CA12CA1CA6CA5A | |
| SCHEMBL13997435 | 0.78 | GAA (0.61) | CA2GAAALDH1A1PKMKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1059927-B1 | CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 2008-07-30 | — | — | EP | disclosed |
| EP-1059927-A1 | CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | AstraZeneca AB (SE) | 2000-12-20 | — | — | EP | disclosed |
| WO-1999044618-A1 | CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY | ASTRAZENECA AB (SE) | 1999-09-10 | — | — | WO | disclosed |