Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.46 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | MTOR | P42345 | 2/20 | 0.42 |
| ▸ | CALCRL | Q16602 | 5/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL26671758 | 0.84 | CALCRL (0.42) | CYP3A4CALCRLOPRD1KCNH2 | |
| SCHEMBL3764320 | 0.84 | PIK3CA (0.51) | HSD11B1PIK3CAMTOROPRD1 | |
| SCHEMBL2524376 | 0.80 | PRKDC (0.48) | PARP1PARP2PIK3CAMTOROPRD1 | |
| Trifluoroacetic Acid SCHEMBL3765036 | 0.78 | PRKDC (0.42) | PARP1PARP2PIK3CAMTORFEN1 | |
| SCHEMBL23236293 | 0.76 | OPRD1 (0.56) | CALCRLOPRD1KCNH2 | |
| SCHEMBL23236023 | 0.75 | TNKS (0.58) | CYP3A4HSD11B1TNKSPARP1PARP2 | |
| SCHEMBL16510054 | 0.74 | PRKDC (0.46) | PIK3CAMTOROPRD1KCNH2FEN1 | |
| SCHEMBL4762286 | 0.74 | TNKS (0.40) | CYP3A4HSD11B1TNKSPARP1PARP2 | |
| SCHEMBL2100682 | 0.74 | CALCRL (0.63) | TNKSPARP1PARP2CALCRL | |
| SCHEMBL23236040 | 0.73 | OPRD1 (0.58) | CALCRLOPRD1KCNH2FEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2249833-B1 | PRODRUGS OF CGRP RECEPTOR ANTAGONIST | MERCK SHARP & DOHME (US) | 2012-10-17 | — | — | EP | disclosed |
| US-8080544-B2 | Prodrugs of CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-12-20 | — | — | US | disclosed |
| US-20100298269-A1 | PRODRUGS OF CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-11-25 | — | — | 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-20100298269-A1 | PRODRUGS OF CGRP RECEPTOR ANTAGONISTS | CALCRL, BDKRB1, BDKRB2 | CYP3A4 1161/4885HSD11B1 1962/4885TNKS 2221/4885 |
“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.