Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.30 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.30 |
| ▸ | MGAT2 | Q10469 | 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 | |
|---|---|---|---|---|
| SCHEMBL12548411 | 0.92 | BACE1 (0.39) | BACE1P2RX7CTSDGRM4MAP3K5 | |
| SCHEMBL1950237 | 0.90 | BACE1 (0.38) | BACE1P2RX7DGAT2CTSDGRM4 | |
| SCHEMBL1951745 | 0.88 | BACE1 (0.37) | BACE1DGAT2CTSDSLC5A1MGAT2 | |
| SCHEMBL1951996 | 0.88 | BACE1 (0.37) | BACE1DGAT2CTSDSLC5A1MGAT2 | |
| SCHEMBL1948971 | 0.87 | BACE1 (0.40) | BACE1DGAT2CTSDSLC5A1 | |
| SCHEMBL1851293 | 0.86 | BACE1 (0.36) | BACE1DGAT2CTSDSLC5A1 | |
| SCHEMBL1952153 | 0.86 | BACE1 (0.38) | BACE1DGAT2CTSDSLC5A1 | |
| SCHEMBL1853184 | 0.85 | BACE1 (0.32) | BACE1CTSD | |
| SCHEMBL1951295 | 0.85 | BACE1 (0.39) | BACE1DGAT2CTSDSLC5A1MGAT2 | |
| SCHEMBL1850310 | 0.84 | BACE1 (0.38) | BACE1P2RX7DGAT2CTSDMAP3K5 |
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 |
| WO-2010017048-A1 | SUBSTITUTED DIHYDROISOQUINOLINONE AND ISOQUINOLINEDIONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | WO | 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 196/4885P2RX7 550/4885DGAT2 3139/4885 |
“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.