Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 6/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | EDNRA | P25101 | 3/20 | 0.31 |
| ▸ | EDNRB | P24530 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL261429 | 0.76 | CALCRL (0.54) | CALCRLKMT2AKDM4ETSHRMEN1 | |
| SCHEMBL259895 | 0.75 | CALCRL (0.42) | CALCRLKMT2AKDM4EMEN1LMNA | |
| SCHEMBL259967 | 0.73 | CALCRL (0.43) | CALCRLKMT2AKDM4EMEN1LMNA | |
| SCHEMBL261266 | 0.72 | CALCRL (0.52) | CALCRLGAATSHRLMNA | |
| SCHEMBL18180382 | 0.70 | KMT2A (0.45) | KMT2AKDM4EGAACASP1CASP7 | |
| SCHEMBL261506 | 0.69 | CALCRL (0.46) | CALCRLTSHR | |
| SCHEMBL1817170 | 0.68 | CYP1A2 (0.49) | CALCRLKMT2ATSHRMEN1 | |
| SCHEMBL2028810 | 0.66 | PTGDR2 (0.32) | — | |
| SCHEMBL260759 | 0.66 | PTGDR2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL1820220 | 0.65 | CALCRL (0.47) | CALCRLKMT2AKDM4EGAAMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163752-B2 | Tricyclic anilide heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-04-24 | — | — | US | disclosed |
| US-8133891-B2 | Tricyclic anilide spirolactam CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-03-13 | — | — | US | disclosed |
| EP-1794146-B1 | TRICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2011-08-03 | — | — | EP | disclosed |
| US-7968540-B2 | Spirohydantoin tricyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-06-28 | — | — | US | disclosed |
| US-7947677-B2 | Spirolactam tricyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-24 | — | — | US | disclosed |