Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL7285963 | 0.92 | KCNH2 (0.45) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL7295411 | 0.86 | HTR2A (0.49) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL9485723 | 0.83 | HTR2A (0.44) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL7286207 | 0.81 | KCNH2 (0.41) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL9485681 | 0.80 | KCNH2 (0.44) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| Lurosetron SCHEMBL30949356 | 0.78 | KCNH2 (0.72) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| Lurosetron SCHEMBL788289 | 0.78 | KCNH2 (0.72) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL7284034 | 0.78 | KCNH2 (0.42) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL1484 | 0.77 | KCNH2 (0.62) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| Lurosetron SCHEMBL7336906 | 0.77 | KCNH2 (0.71) | KCNH2HTR2AHTR2CHTR2BCYP1A2 |
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-5183820-A | Useful for treatment of nausea, vomiting, irritable bowel syndrome and dyspepsia | GLAXO GROUP LIMITED (GB) | 1993-02-02 | — | — | US | disclosed |