Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.47 |
| ▸ | ALDH2 | P05091 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 3/20 | 0.42 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.39 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 4/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18189647 | 1.00 | PDK2 (0.47) | PDK2ALDH2MAOAMAOBBRD4 | |
| SCHEMBL18189670 | 0.96 | PDK2 (0.47) | PDK2ALDH2MAOAMAOBBRD4 | |
| SCHEMBL18189671 | 0.96 | PDK2 (0.47) | PDK2ALDH2MAOAMAOBBRD4 | |
| SCHEMBL18197343 | 0.93 | PDK2 (0.45) | PDK2ALDH2MAOAMAOBBRD4 | |
| SCHEMBL18189626 | 0.89 | PDK2 (0.44) | PDK2ALDH2MAOAMAOBFFAR1 | |
| SCHEMBL18189583 | 0.89 | PDK2 (0.44) | PDK2ALDH2MAOAMAOBFFAR1 | |
| SCHEMBL18197348 | 0.89 | BRD4 (0.47) | PDK2ALDH2MAOAMAOBBRD4 | |
| SCHEMBL20175897 | 0.88 | PTPN11 (0.45) | PDK2CNR2 | |
| SCHEMBL20175900 | 0.88 | PTPN11 (0.45) | PDK2CNR2 | |
| SCHEMBL18189559 | 0.87 | HPGD (0.47) | ALDH2CNR2PDE3BPDE3APTPN1 |
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-3288557-A1 | METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF | University of Florida Research Foundation, Inc. (US) | 2018-03-07 | — | — | EP | disclosed |
| WO-2016176343-A1 | METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2016-11-03 | — | — | WO | disclosed |