Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7286786 | 0.90 | KCNH2 (0.44) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL1101 | 0.86 | KCNH2 (0.60) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL7295411 | 0.85 | HTR2A (0.49) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL7285963 | 0.81 | KCNH2 (0.45) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL9485728 | 0.80 | KCNH2 (0.44) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| SCHEMBL9485723 | 0.79 | HTR2A (0.44) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| Lurosetron SCHEMBL30949356 | 0.77 | KCNH2 (0.72) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| Lurosetron SCHEMBL788289 | 0.77 | KCNH2 (0.72) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| Lurosetron SCHEMBL635328 | 0.77 | KCNH2 (0.66) | KCNH2HTR2AHTR2CHTR2BCYP1A2 | |
| Lurosetron SCHEMBL7336554 | 0.77 | KCNH2 (0.65) | 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 |