Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CCL2 | P13500 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | ICMT | O60725 | 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 | |
|---|---|---|---|---|
| SCHEMBL1853184 | 0.92 | BACE1 (0.32) | BACE1CTSD | |
| SCHEMBL1854172 | 0.90 | CTSD (0.33) | BACE1CTSD | |
| SCHEMBL12548411 | 0.85 | BACE1 (0.39) | BACE1CTSDNR3C1BRD4CCL2 | |
| SCHEMBL12548973 | 0.77 | BACE1 (0.41) | BACE1CTSDNR3C1PTGS2DHODH | |
| SCHEMBL1951754 | 0.77 | BACE1 (0.37) | BACE1CTSD | |
| SCHEMBL12548970 | 0.77 | PTGS2 (0.37) | BACE1CTSDNR3C1PTGS2DHODH | |
| SCHEMBL1852732 | 0.76 | GRIN1 (0.34) | BACE1CTSDBRD4 | |
| SCHEMBL12548405 | 0.71 | MAPT (0.36) | BACE1CTSDNR3C1PTGS2DHODH | |
| SCHEMBL1851293 | 0.69 | BACE1 (0.36) | BACE1CTSD | |
| SCHEMBL1848216 | 0.69 | BACE1 (0.35) | BACE1 |
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 1 patent. 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 | 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 196/4885CTSD 548/4885NR3C1 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.