Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Alosetron. 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 | 0.73 |
| ▸ | CASP6 | P55212 | 1/20 | 0.74 |
| ▸ | HTR2A | P28223 | 5/20 | 0.73 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.73 |
| ▸ | HTR2B | P41595 | 4/20 | 0.73 |
| ▸ | HTR2C | P28335 | 4/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.73 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.73 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Alosetron SCHEMBL311317 | 1.00 | CASP6 (0.74) | CASP6HTR2AKCNH2HTR2BHTR2C | |
| Alosetron SCHEMBL148316 | 0.99 | HTR2A (0.74) | CASP6HTR2AKCNH2HTR2BHTR2C | |
| Alosetron SCHEMBL2229995 | 0.92 | KCNH2 (0.65) | CASP6HTR2AKCNH2HTR2BHTR2C | |
| SCHEMBL20027463 | 0.87 | KCNH2 (0.57) | CASP6HTR2AKCNH2HTR2BHTR2C | |
| SCHEMBL20022665 | 0.86 | HTR2A (0.56) | CASP6HTR2AKCNH2HTR2BHTR2C | |
| Alosetron SCHEMBL29387635 | 0.85 | CASP6 (1.00) | CASP6HTR2AKCNH2HTR2BHTR2C | |
| Alosetron SCHEMBL806 | 0.85 | CASP6 (1.00) | CASP6HTR2AKCNH2HTR2BHTR2C | |
| Alosetron SCHEMBL631 | 0.84 | KCNH2 (1.00) | CASP6HTR2AKCNH2HTR2BHTR2C | |
| Alosetron SCHEMBL29377019 | 0.84 | KCNH2 (1.00) | CASP6HTR2AKCNH2HTR2BHTR2C | |
| SCHEMBL3321223 | 0.83 | KCNH2 (0.54) | CASP6HTR2AKCNH2HTR2BHTR2C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002036113-A1 | COMPOSITION COMPRISING: SEROTONIN RECEPTOR ANTAGONISTS (5HT-2, 5HT-3) AND AGONIST (5HT-4) | RESPIRATORIUS AB (SE) | 2002-05-10 | — | — | WO | disclosed |
| WO-2002036114-A1 | COMPOSITION COMPRISING SEROTONIN RECEPTOR ANTAGONISTS, 5 HT-2 AND 5 HT-3 | RESPIRATORIUS AB (SE) | 2002-05-10 | — | — | WO | disclosed |
| WO-2001095902-A9 | A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS | — | 2002-04-25 | — | — | WO | disclosed |
| WO-2001095902-A1 | A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS | RESPIRATORIUS AB (SE) | 2001-12-20 | — | — | WO | disclosed |
| WO-2001095903-A1 | 5-HT3 RECEPTOR ANTAGONISTS FOR TREATMENT OF DISORDERS INVOLVING AIRWAY CONSTRICTION | RESPIRATORIUS AB (SE) | 2001-12-20 | — | — | WO | disclosed |