Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 2/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 6/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 3/20 | 0.33 |
| ▸ | CTSD | P07339 | 2/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1951320 | 0.85 | OTUD7B (0.39) | EPHX2GRIN1GRIN2BBACE1CTSD | |
| SCHEMBL1950191 | 0.85 | EPHX2 (0.43) | EPHX2PGRGRIN1GRIN2BPIK3CD | |
| SCHEMBL1950045 | 0.84 | BACE1 (0.39) | EPHX2PGRGRIN1GRIN2BPIK3CD | |
| SCHEMBL1949290 | 0.81 | GRIN1 (0.43) | EPHX2PGRGRIN1GRIN2BPIK3CD | |
| SCHEMBL1949443 | 0.76 | CACNA1B (0.42) | EPHX2PGRGRIN1GRIN2BPIK3CD | |
| SCHEMBL1949782 | 0.73 | TP53 (0.35) | EPHX2PIK3CD | |
| SCHEMBL1950759 | 0.73 | PGR (0.41) | EPHX2PGRPIK3CD | |
| SCHEMBL1951020 | 0.72 | OTUD7B (0.40) | PGRGRIN1GRIN2BBACE1 | |
| SCHEMBL3016588 | 0.71 | PGR (0.51) | EPHX2PGRPIK3CD | |
| SCHEMBL1952174 | 0.71 | BACE1 (0.38) | EPHX2PGRPIK3CDBACE1 |
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 |