Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.38 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | SLC5A1 | P13866 | 5/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1948561 | 0.89 | BACE1 (0.36) | BACE1DGAT2GRIN1GRIN2BCTSD | |
| SCHEMBL1851293 | 0.88 | BACE1 (0.36) | BACE1DGAT2GRIN1GRIN2BCTSD | |
| SCHEMBL1951290 | 0.87 | BACE1 (0.42) | BACE1DGAT2GRIN1GRIN2BCTSD | |
| SCHEMBL1949510 | 0.86 | BACE1 (0.41) | BACE1GRIN1GRIN2BCTSD | |
| SCHEMBL1950220 | 0.85 | BACE1 (0.38) | BACE1DGAT2GRIN1GRIN2BCTSD | |
| SCHEMBL1950237 | 0.85 | BACE1 (0.38) | BACE1DGAT2GRIN1GRIN2BCTSD | |
| SCHEMBL1948964 | 0.85 | BACE1 (0.39) | BACE1DGAT2CTSDSLC5A1 | |
| SCHEMBL1952174 | 0.83 | BACE1 (0.38) | BACE1DGAT2SLC5A1MMP13 | |
| SCHEMBL1855937 | 0.81 | BACE1 (0.39) | BACE1DGAT2GRIN1GRIN2BSLC5A1 | |
| SCHEMBL1950808 | 0.79 | ASIC3 (0.39) | BACE1GRIN1GRIN2BCTSD |
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 3 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 |
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 196/4885DGAT2 3139/4885GRIN1 195/4885 |
“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.