Known targets — ChEMBL curated mechanism
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 2/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | HTR2B | P41595 | 3/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | HTR2A | P28223 | 2/20 | 0.68 |
| ▸ | HTR2C | P28335 | 2/20 | 0.68 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.68 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.68 |
| ▸ | CASP6 | P55212 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL9366393 | 0.87 | CYP3A4 (0.43) | KCNH2CYP3A4HTR2BCYP1A2HTR3A | |
| Lurosetron SCHEMBL30949356 | 0.86 | KCNH2 (0.72) | KCNH2CYP3A4HTR2BCYP1A2HTR3A | |
| Lurosetron SCHEMBL788289 | 0.86 | KCNH2 (0.72) | KCNH2CYP3A4HTR2BCYP1A2HTR3A | |
| Lurosetron SCHEMBL7336906 | 0.85 | KCNH2 (0.71) | KCNH2CYP3A4HTR2BCYP1A2HTR3A | |
| Lurosetron SCHEMBL7291773 | 0.85 | CASP6 (0.72) | KCNH2CYP3A4HTR2BCYP1A2HTR3A | |
| Galdansetron SCHEMBL635736 | 0.83 | KCNH2 (0.61) | KCNH2CYP3A4HTR2BCYP1A2HTR3A | |
| Galdansetron SCHEMBL4564582 | 0.83 | KCNH2 (0.61) | KCNH2CYP3A4HTR2BCYP1A2HTR3A | |
| Galdansetron SCHEMBL636713 | 0.83 | CASP6 (0.62) | KCNH2CYP3A4HTR2BCYP1A2HTR3A | |
| Alosetron SCHEMBL29377019 | 0.82 | KCNH2 (1.00) | KCNH2CYP3A4HTR2BCYP1A2HTR3A | |
| Alosetron SCHEMBL631 | 0.82 | KCNH2 (1.00) | KCNH2CYP3A4HTR2BCYP1A2HTR3A |
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-5425950-A | Antiserotonine agent | GLAXO GROUP LIMITED (GB) | 1995-06-20 | — | — | US | claimed |