Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.68 |
| ▸ | DRD2 | P14416 | 5/20 | 0.64 |
| ▸ | DRD3 | P35462 | 5/20 | 0.64 |
| ▸ | HTR1A | P08908 | 4/20 | 0.64 |
| ▸ | HTR2A | P28223 | 4/20 | 0.64 |
| ▸ | DRD1 | P21728 | 1/20 | 0.64 |
| ▸ | DRD5 | P21918 | 1/20 | 0.64 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.63 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.63 |
| ▸ | HRH1 | P35367 | 5/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.57 |
| ▸ | HRH2 | P25021 | 2/20 | 0.57 |
| ▸ | LTA4H | P09960 | 1/20 | 0.57 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.52 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8012437 | 0.83 | GRIN1 (0.68) | KCNH2SIGMAR1LTA4HADRB2ADRB1 | |
| SCHEMBL2024826 | 0.81 | KCNH2 (1.00) | KCNH2ADRB2ADRB1ADRB3 | |
| SCHEMBL2024829 | 0.81 | KCNH2 (1.00) | KCNH2ADRB2ADRB1ADRB3 | |
| SCHEMBL2024828 | 0.81 | KCNH2 (1.00) | KCNH2ADRB2ADRB1ADRB3 | |
| SCHEMBL23097610 | 0.80 | KCNH2 (0.69) | KCNH2DRD2DRD3HTR1AHTR2A | |
| SCHEMBL23097799 | 0.78 | DRD2 (0.76) | KCNH2DRD2DRD3HTR1AHTR2A | |
| SCHEMBL9428457 | 0.78 | LTA4H (0.55) | KCNH2DRD2HTR1AHTR2AHRH1 | |
| Hydrochloric Acid SCHEMBL9428931 | 0.78 | LTA4H (0.54) | KCNH2DRD2HTR1AHTR2AHRH1 | |
| SCHEMBL7859721 | 0.76 | LTA4H (0.88) | KCNH2HRH3LTA4H | |
| SCHEMBL11276891 | 0.76 | HTR7 (0.66) | KCNH2DRD2DRD3HTR1AHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2170334-B1 | NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION | UNIV EMORY (US) | 2021-03-17 | — | — | EP | disclosed |