Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 3/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL259967 | 0.79 | CALCRL (0.43) | CALCRLMAPTMCL1HTR1A | |
| SCHEMBL260183 | 0.75 | CALCRL (0.55) | CALCRL | |
| SCHEMBL259895 | 0.72 | CALCRL (0.42) | CALCRLCMA1 | |
| SCHEMBL261020 | 0.70 | NPC1 (0.38) | CMA1MAPTADRB2ADRB1HTR1A | |
| SCHEMBL261475 | 0.69 | CALCRL (0.47) | CALCRLMAPTHTR1A | |
| SCHEMBL261302 | 0.67 | CALCRL (0.38) | CALCRLMAPTBRD4OPRK1 | |
| SCHEMBL12628017 | 0.64 | MAPT (0.42) | MAPTADRB2HTR1A | |
| SCHEMBL30040327 | 0.63 | HSD17B10 (0.46) | MCL1HTR1A | |
| SCHEMBL9431800 | 0.63 | MCL1 (0.49) | MCL1HTR1A | |
| SCHEMBL640651 | 0.62 | POLB (0.59) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1951051-B1 | SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-10-03 | — | — | EP | disclosed |
| 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 |