Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 7/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | AADAT | Q8N5Z0 | 3/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | P4HB | P07237 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1894821 | 1.00 | CALCRL (0.43) | CALCRLMKNK1MKNK2MAPK1AADAT | |
| SCHEMBL2212667 | 0.94 | CALCRL (0.43) | CALCRLMKNK1MKNK2MAPK1AADAT | |
| SCHEMBL3884718 | 0.88 | CALCRL (0.53) | CALCRLMAPK1AADATROCK1 | |
| SCHEMBL3886482 | 0.88 | CALCRL (0.53) | CALCRLMAPK1AADATROCK1 | |
| SCHEMBL3881738 | 0.80 | CALCRL (0.51) | CALCRL | |
| SCHEMBL3881732 | 0.80 | CALCRL (0.51) | CALCRL | |
| SCHEMBL3881024 | 0.79 | CALCRL (0.53) | CALCRLROCK1 | |
| SCHEMBL3883338 | 0.79 | CALCRL (0.53) | CALCRLROCK1 | |
| SCHEMBL12512927 | 0.79 | CALCRL (0.43) | CALCRL | |
| SCHEMBL4055364 | 0.78 | CALCRL (0.48) | CALCRLAADATKCNH2GRIN2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7951795-B2 | Constrained spirocyclic compounds as CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-31 | — | — | US | disclosed |
| US-20100069359-A1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-03-18 | — | — | 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-20100069359-A1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | CALCRL, BDKRB1, CALCR | CALCRL 1/4885MKNK1 2565/4885MKNK2 2675/4885 |
“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.