Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | SLC5A1 | P13866 | 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 | |
|---|---|---|---|---|
| SCHEMBL1951320 | 0.89 | OTUD7B (0.39) | BACE1EPHX2GRIN1GRIN2B | |
| SCHEMBL1952174 | 0.87 | BACE1 (0.38) | BACE1EPHX2PIK3CDMMP13PGR | |
| SCHEMBL3016425 | 0.86 | PGR (0.49) | CACNA1BEPHX2PIK3CDPGR | |
| SCHEMBL1949290 | 0.86 | GRIN1 (0.43) | BACE1EPHX2PIK3CDPGRGRIN1 | |
| SCHEMBL1857520 | 0.85 | BACE1 (0.40) | BACE1CACNA1BEPHX2GRM2GRIN1 | |
| SCHEMBL1950191 | 0.85 | EPHX2 (0.43) | EPHX2PIK3CDPGRGRIN1GRIN2B | |
| SCHEMBL1852299 | 0.84 | EPHX2 (0.36) | BACE1EPHX2PIK3CDPGRGRIN1 | |
| SCHEMBL1869646 | 0.81 | BACE1 (0.40) | BACE1CACNA1BEPHX2PIK3CDMMP13 | |
| SCHEMBL1950590 | 0.81 | BACE1 (0.36) | BACE1PIK3CDMMP13PGRCTSA | |
| SCHEMBL1951532 | 0.81 | BACE1 (0.37) | BACE1CACNA1BGRM2GRIN1GRIN2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110136842-A1 | Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers | MERCK SHARP & DOHME CORP. | 2011-06-09 | — | — | US | claimed |
| US-20110136842-A1 | Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers | MERCK SHARP & DOHME CORP. | 2011-06-09 | — | — | US | disclosed |
| US-20110136842-A1 | Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers | MERCK SHARP & DOHME CORP. | 2011-06-09 | — | — | US | disclosed |
| US-20110136842-A1 | Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers | MERCK SHARP & DOHME CORP. | 2011-06-09 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110136842-A1 | Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers | CACNA1D, TRPV1, CACNA1S | BACE1 196/4885CACNA1B 8/4885EPHX2 4273/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.