Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | HTR2B | P41595 | 1/20 | 0.56 |
| ▸ | HTR3A | P46098 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | CASP6 | P55212 | 1/20 | 0.56 |
| ▸ | CD44 | P16070 | 2/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL553 | 0.87 | KCNH2 (0.69) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Fumaric Acid SCHEMBL7295856 | 0.83 | CYP1A2 (0.54) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Maleic Acid SCHEMBL7295846 | 0.83 | CYP1A2 (0.54) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Lurosetron SCHEMBL788289 | 0.82 | KCNH2 (0.72) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Lurosetron SCHEMBL30949356 | 0.82 | KCNH2 (0.72) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Lurosetron SCHEMBL7336906 | 0.82 | KCNH2 (0.71) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Lurosetron SCHEMBL7291773 | 0.82 | CASP6 (0.72) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL7294644 | 0.80 | CYP1A2 (0.58) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| SCHEMBL7291967 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C | |
| Lurosetron SCHEMBL7284073 | 0.79 | KCNH2 (0.65) | CYP1A2CYP3A4ADRA2CHTR2AHTR2C |
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 |