Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | NEK2 | P51955 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 3/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 4/20 | 0.33 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.33 |
| ▸ | OTUD7B | Q6GQQ9 | 2/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL13748218 | 0.80 | CRBN (0.32) | KCNH2NEK2CRBNMAPKAPK2 | |
| SCHEMBL1700114 | 0.78 | KCNH2 (0.54) | KCNH2CHRM2CHRM3HTR2BHTR2A | |
| SCHEMBL15935916 | 0.76 | FGFR1 (0.38) | NEK2HTR2BOPRM1OTUD7BBRD4 | |
| SCHEMBL15935940 | 0.72 | KCNH2 (0.38) | KCNH2CHRM2CHRM3NEK2HTR2B | |
| SCHEMBL15935948 | 0.72 | CHRM2 (0.36) | KCNH2CHRM2CHRM3NEK2HTR2B | |
| SCHEMBL15935918 | 0.72 | KCNH2 (0.39) | KCNH2SIGMAR1DRD2 | |
| SCHEMBL800500 | 0.71 | CRBN (0.46) | CHRM2CHRM3NEK2HTR2BHTR2A | |
| SCHEMBL26141991 | 0.65 | CRBN (0.51) | CHRM2CHRM3NEK2CRBNDDB1 | |
| SCHEMBL13314948 | 0.65 | PLD1 (0.49) | HTR2BHTR2AHTR2CSIGMAR1CRBN | |
| SCHEMBL13342752 | 0.64 | KCNH2 (0.52) | KCNH2CHRM2OPRM1CRBNOTUD7B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8796260-B2 | Imidazobenzazepine CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-08-05 | — | — | US | disclosed |