Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 2/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | XDH | P47989 | 2/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.34 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1849671 | 0.86 | GRIN1 (0.39) | XDHOTUD7B | |
| SCHEMBL1847703 | 0.86 | PGR (0.36) | EPHX2PGRFFAR4FFAR1GAA | |
| SCHEMBL1857520 | 0.85 | BACE1 (0.40) | EPHX2 | |
| SCHEMBL1950191 | 0.84 | EPHX2 (0.43) | EPHX2PGRFFAR4TRPV6PRMT5 | |
| SCHEMBL3019951 | 0.81 | PGR (0.58) | EPHX2PGRPIK3CD | |
| SCHEMBL1846342 | 0.75 | CMA1 (0.31) | — | |
| SCHEMBL1951320 | 0.71 | OTUD7B (0.39) | EPHX2XDHOTUD7B | |
| SCHEMBL1852299 | 0.70 | EPHX2 (0.36) | EPHX2PGRPIK3CD | |
| SCHEMBL1950759 | 0.69 | PGR (0.41) | EPHX2PGRFFAR4FFAR1PIK3CD | |
| SCHEMBL3016588 | 0.67 | PGR (0.51) | EPHX2PGRPIK3CDOTUD7B |
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-2323482-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck & Co., Inc. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010017048-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | disclosed |