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 |
| ▸ | HTR2B | P41595 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | NEK2 | P51955 | 1/20 | 0.33 |
| ▸ | OTUD7B | Q6GQQ9 | 3/20 | 0.32 |
| ▸ | CRBN | Q96SW2 | 6/20 | 0.32 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.31 |
| ▸ | PLK4 | O00444 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL13748221 | 0.81 | PLK4 (0.33) | KCNH2PLK4AURKACHEK2LCK | |
| SCHEMBL1700114 | 0.81 | KCNH2 (0.54) | KCNH2CHRM2CHRM3HTR2BHTR2A | |
| SCHEMBL15935922 | 0.77 | CYP1A2 (0.37) | PLK4AURKACHEK2LCKCDK2 | |
| SCHEMBL15935919 | 0.74 | SIGMAR1 (0.39) | KCNH2SIGMAR1 | |
| SCHEMBL15935945 | 0.72 | KCNH2 (0.38) | KCNH2CHRM2CHRM3HTR2BHTR2A | |
| SCHEMBL15935948 | 0.72 | CHRM2 (0.36) | KCNH2CHRM2CHRM3HTR2BHTR2A | |
| SCHEMBL13314948 | 0.71 | PLD1 (0.49) | HTR2BHTR2AHTR2CSIGMAR1OTUD7B | |
| SCHEMBL800500 | 0.68 | CRBN (0.46) | CHRM2CHRM3HTR2BHTR2AHTR2C | |
| SCHEMBL13368621 | 0.67 | KCNH2 (0.62) | KCNH2SIGMAR1OTUD7BCRBN | |
| SCHEMBL13342752 | 0.67 | KCNH2 (0.52) | KCNH2CHRM2OTUD7BCRBNOPRM1 |
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 |