Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 10/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | TDP2 | O95551 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1948699 | 0.86 | PGR (0.43) | PGRNR3C1NR3C2ARTDP2 | |
| SCHEMBL3019210 | 0.84 | PGR (0.55) | CACNA1BPGRNR3C1NR3C2AR | |
| SCHEMBL8052840 | 0.84 | PGR (0.55) | CACNA1BPGRNR3C1NR3C2AR | |
| SCHEMBL1949290 | 0.80 | GRIN1 (0.43) | PGREPHX2GRIN1GRIN2BPIK3CD | |
| SCHEMBL2784158 | 0.80 | CACNA1B (0.39) | CACNA1BPGRNR3C1NR3C2AR | |
| SCHEMBL1948941 | 0.80 | PGR (0.41) | PGRNR3C1NR3C2ARTDP2 | |
| SCHEMBL1949782 | 0.78 | TP53 (0.35) | TDP2EPHX2PIK3CD | |
| SCHEMBL1951320 | 0.78 | OTUD7B (0.39) | EPHX2GRIN1GRIN2B | |
| SCHEMBL1950191 | 0.77 | EPHX2 (0.43) | PGREPHX2GRIN1GRIN2BPIK3CD | |
| SCHEMBL1950045 | 0.76 | BACE1 (0.39) | CACNA1BPGREPHX2GRIN1GRIN2B |
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 | CACNA1B 8/4885PGR 4650/4885NR3C1 1648/4885 |
“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.