Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA7 | P43166 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.45 |
| ▸ | DBH | P09172 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL107199 | 0.91 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12217576 | 0.87 | PDK2 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17119841 | 0.86 | HSP90AA1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4495603 | 0.80 | ESRRG (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28897045 | 0.78 | HSD17B1 (0.55) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL18652138 | 0.78 | SIRT1 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9131982 | 0.77 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18652199 | 0.77 | SLC6A4 (0.56) | PDK2KDM4ENAMPT | |
| SCHEMBL21077963 | 0.77 | CDK4 (0.50) | PDK2DRD2NAMPT | |
| SCHEMBL144936 | 0.76 | HSP90AA1 (0.46) | CA12CA1CA2CA7CA9 |
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-2341053-B1 | CEPHALOSPORIN HAVING CATECHOL GROUP | SHIONOGI & CO (JP) | 2016-01-13 | — | — | EP | disclosed |