Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 6/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 2/20 | 0.36 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.36 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29959666 | 1.00 | ELANE (0.43) | ELANEF2PLAUCTRB1ALDH1A1 | |
| SCHEMBL29502036 | 0.83 | ATR (0.36) | ELANEATRCTSKRETDGAT2 | |
| SCHEMBL14658464 | 0.83 | ATR (0.36) | ELANEATRCTSKRETDGAT2 | |
| SCHEMBL659294 | 0.83 | ATR (0.38) | ELANEALDH1A1NPSR1ATRGAA | |
| SCHEMBL25473050 | 0.80 | ATR (0.36) | ATRCTSKRETDGAT2 | |
| SCHEMBL1114562 | 0.80 | DGAT2 (0.38) | ALDH1A1ATRMAP3K5KDM4EGAA | |
| SCHEMBL20764905 | 0.80 | GAA (0.42) | ALDH1A1MAP3K5KDM4EGAAMAPK1 | |
| SCHEMBL24268660 | 0.80 | MAP3K5 (0.39) | ALDH1A1NPSR1ATRMAP3K5KDM4E | |
| SCHEMBL14538892 | 0.80 | GAA (0.45) | ELANEALDH1A1ATRMAP3K5KDM4E | |
| SCHEMBL1513052 | 0.80 | MAP3K5 (0.37) | ALDH1A1ATRMAP3K5KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017133670-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |