Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP2 | P42575 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | NAAA | Q02083 | 1/20 | 0.63 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.55 |
| ▸ | FAAH | O00519 | 4/20 | 0.55 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27137140 | 0.96 | CASP2 (0.74) | CASP2KDM4EMAPK1HIF1ANAAA | |
| SCHEMBL19960974 | 0.90 | CASP2 (0.71) | CASP2KDM4EMAPK1HIF1ANAAA | |
| SCHEMBL19960886 | 0.90 | CASP2 (0.71) | CASP2KDM4EMAPK1HIF1ANAAA | |
| SCHEMBL19150115 | 0.90 | CASP2 (0.77) | CASP2KDM4EMAPK1HIF1ANAAA | |
| SCHEMBL21695696 | 0.89 | HIF1A (0.71) | CASP2KDM4EMAPK1HIF1ANAAA | |
| SCHEMBL19960728 | 0.89 | CASP2 (0.69) | CASP2KDM4EMAPK1HIF1ANAAA | |
| SCHEMBL13700142 | 0.87 | CASP2 (0.87) | CASP2NAAAEPHX1FAAHDNM1 | |
| SCHEMBL22211254 | 0.87 | CASP2 (0.87) | CASP2NAAAEPHX1FAAHDNM1 | |
| SCHEMBL7887680 | 0.87 | CASP2 (0.87) | CASP2NAAAEPHX1FAAHDNM1 | |
| SCHEMBL9419003 | 0.87 | CASP2 (0.87) | CASP2NAAAEPHX1FAAHDNM1 |
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-3131585-B1 | MULTIDENTATE BIFUNCTIONAL CHELATING AGENTS FOR RADIONUCLIDE COMPLEXATION IN DIAGNOSTICS AND THERAPY | UNIV ZUERICH (CH) | 2020-07-15 | — | — | EP | disclosed |