Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.39 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.39 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19011555 | 0.81 | DRD2 (0.48) | DRD2DRD3DRD4LMNANOTUM | |
| SCHEMBL18726002 | 0.81 | NOTUM (0.53) | NOTUMHCRTR1HCRTR2 | |
| SCHEMBL5934873 | 0.80 | NOTUM (0.57) | DRD2DRD3DRD4LMNANOTUM | |
| Hydrochloric Acid SCHEMBL6006151 | 0.78 | NOTUM (0.55) | DRD2DRD3DRD4LMNANOTUM | |
| SCHEMBL18979222 | 0.78 | CYP2A6 (0.44) | CHRNA7KDM4EALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL14961830 | 0.77 | HTT (0.56) | DRD2DRD3DRD4LMNANOTUM | |
| SCHEMBL521666 | 0.72 | MAPT (0.52) | LMNANOTUMERCC1ERCC4KDM4E | |
| SCHEMBL6399910 | 0.72 | ADRA2C (0.55) | LMNAHTR1AKDM4EALDH1A1MAPK1 | |
| SCHEMBL14961832 | 0.72 | NOTUM (0.48) | DRD2DRD3DRD4LMNANOTUM | |
| SCHEMBL18529144 | 0.71 | DHFR (0.49) | NOTUMHTR1AHTR7ALDH1A1MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2632255-B1 | DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | claimed |
| EP-2632255-B1 | DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |