Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | CMA1 | P23946 | 5/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.34 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CTSG | P08311 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL260373 | 0.94 | CALCRL (0.40) | CALCRLAHRPDK2CMA1POLB | |
| SCHEMBL261415 | 0.74 | CALCRL (0.46) | CALCRLAHRPDK2CMA1KMT2A | |
| SCHEMBL261355 | 0.71 | ALDH1A1 (0.45) | CALCRLPOLBMEN1KMT2ADRD2 | |
| SCHEMBL12965351 | 0.71 | GAA (0.43) | CALCRLAHRPDK2POLBMEN1 | |
| SCHEMBL261425 | 0.70 | CALCRL (0.51) | CALCRLAHRPDK2CMA1KMT2A | |
| Lithium Ion SCHEMBL259977 | 0.70 | CALCRL (0.44) | CALCRLAHRPDK2CRBNGRIA1 | |
| SCHEMBL261471 | 0.68 | AHR (0.41) | CALCRLAHRPDK2CMA1GRIA1 | |
| SCHEMBL2031259 | 0.68 | MCL1 (0.41) | CMA1POLBMCL1MEN1KMT2A | |
| SCHEMBL2054600 | 0.67 | ALDH1A1 (0.47) | CALCRLPOLBMEN1KMT2ADRD2 | |
| SCHEMBL12965352 | 0.67 | CALCRL (0.48) | CALCRLAHRPDK2POLBMEN1 |
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 4 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 |
| 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 |