Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 2/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.34 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | DPYD | Q12882 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24610997 | 0.69 | ALDH1A1 (0.38) | KDM5ADDR1EGLN1ALDH1A1NPSR1 | |
| SCHEMBL19643477 | 0.69 | AR (0.33) | KDM5ADDR1ALDH1A1GAAPOLB | |
| SCHEMBL30896270 | 0.69 | KDM4E (0.41) | PIM1KDM4EALDH1A1GAAGLA | |
| SCHEMBL8148156 | 0.67 | AR (0.43) | ALDH1A1GAAPOLBTHRBMAPT | |
| SCHEMBL20670865 | 0.67 | XDH (0.35) | KDM4EALDH1A1GAAGLANPSR1 | |
| SCHEMBL15563527 | 0.67 | KDM4E (0.50) | KDM4EALDH1A1GAAGLAL3MBTL1 | |
| SCHEMBL19643389 | 0.63 | TRPV4 (0.37) | DDR1PIM1ALDH1A1GAAPOLB | |
| SCHEMBL25426966 | 0.62 | HSD17B10 (0.49) | KDM4EALDH1A1GAANPSR1IDH1 | |
| SCHEMBL7499153 | 0.62 | IDH1 (0.58) | PIM1KDM4EALDH1A1GAAGLA | |
| SCHEMBL13755153 | 0.62 | AR (0.39) | ALDH1A1XDHMAPT |
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-3596069-B1 | KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO | SCRIPPS RESEARCH INST (US) | 2022-07-13 | — | — | EP | disclosed |