Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G2A | P14555 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 4/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10660422 | 0.88 | CA9 (0.47) | CA12CA1CA2CA3CA4 | |
| SCHEMBL9947508 | 0.82 | PLA2G2A (0.49) | PLA2G2ACA12CA1CA2CA3 | |
| SCHEMBL12408515 | 0.80 | KDM4E (0.49) | PLA2G2ACA12CA1CA2CA3 | |
| SCHEMBL1264589 | 0.75 | ALDH1A1 (0.45) | CA12CA1CA3CA4CA6 | |
| SCHEMBL22149512 | 0.75 | SLC2A1 (0.46) | PLA2G2ACA12CA1CA2CA3 | |
| SCHEMBL22149729 | 0.75 | SLC2A1 (0.46) | PLA2G2ACA12CA1CA2CA3 | |
| SCHEMBL7457655 | 0.75 | CA1 (0.51) | PLA2G2ACA12CA1CA2CA3 | |
| SCHEMBL10337853 | 0.74 | MAPT (0.53) | THRBTDP1 | |
| SCHEMBL9016884 | 0.74 | PLA2G2A (0.68) | PLA2G2ABLMNR5A1TSHRTP53 | |
| SCHEMBL18886699 | 0.74 | PLA2G2A (0.68) | PLA2G2ABLMNR5A1TSHRTP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2648689-A2 | 2-PYRONES | Merck Patent GmbH (DE) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076109-A2 | 2-PYRONES | MERCK PATENT GMBH (DE) | 2012-06-14 | — | — | WO | disclosed |