Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PER2 | O15055 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL259921 | 0.79 | CALCRL (0.44) | CALCRLHTR1AMAPTMCL1 | |
| SCHEMBL260385 | 0.76 | CALCRL (0.55) | CALCRLHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL259828 | 0.73 | CALCRL (0.42) | CALCRLLMNAMEN1KMT2AKDM4E | |
| SCHEMBL261540 | 0.70 | CALCRL (0.47) | CALCRLHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL260066 | 0.67 | TRPV1 (0.34) | — | |
| SCHEMBL30170292 | 0.65 | LMNA (0.47) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9431800 | 0.64 | MCL1 (0.49) | ALDH1A1CYP1A2HPGDHTR1ADRD2 | |
| SCHEMBL30040327 | 0.64 | HSD17B10 (0.46) | ALDH1A1CYP1A2HPGDHTR1ADRD2 | |
| SCHEMBL12628018 | 0.64 | ADRB2 (0.43) | HTR1ADRD2 | |
| SCHEMBL261429 | 0.62 | CALCRL (0.54) | CALCRLLMNAMEN1KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| 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 |