Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
The experimentally established mechanism targets of Lurosetron. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.63 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.63 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.63 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.63 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | HTR3A | P46098 | 1/20 | 0.63 |
| ▸ | CASP6 | P55212 | 1/20 | 0.62 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Lurosetron SCHEMBL7282816 | 1.00 | KCNH2 (0.63) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Maleic Acid SCHEMBL7285621 | 0.95 | CYP1A2 (0.56) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Fumaric Acid SCHEMBL7285626 | 0.95 | CYP1A2 (0.56) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Lurosetron SCHEMBL788289 | 0.93 | KCNH2 (0.72) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Lurosetron SCHEMBL30949356 | 0.93 | KCNH2 (0.72) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Lurosetron SCHEMBL7336906 | 0.92 | KCNH2 (0.71) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Lurosetron SCHEMBL7291773 | 0.92 | CASP6 (0.72) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Fumaric Acid SCHEMBL7294854 | 0.91 | KCNH2 (0.65) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Maleic Acid SCHEMBL7294851 | 0.91 | KCNH2 (0.65) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A | |
| Maleic Acid SCHEMBL9486666 | 0.91 | CYP1A2 (0.54) | KCNH2CYP1A2CYP3A4ADRA2CHTR2A |
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 |