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 | 3/20 | 0.90 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.90 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.90 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.90 |
| ▸ | HTR2B | P41595 | 2/20 | 0.90 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.90 |
| ▸ | HTR2A | P28223 | 1/20 | 0.90 |
| ▸ | HTR2C | P28335 | 1/20 | 0.90 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.90 |
| ▸ | CASP6 | P55212 | 1/20 | 0.89 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.40 |
| ▸ | HTR3B | O95264 | 2/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.40 |
| ▸ | CD44 | P16070 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
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 SCHEMBL29377019 | 0.95 | KCNH2 (1.00) | KCNH2HTR3ACYP3A4CYP1A2HTR2B | |
| Alosetron SCHEMBL631 | 0.95 | KCNH2 (1.00) | KCNH2HTR3ACYP3A4CYP1A2HTR2B | |
| Alosetron SCHEMBL806 | 0.94 | CASP6 (1.00) | KCNH2HTR3ACYP3A4CYP1A2HTR2B | |
| Alosetron SCHEMBL29387635 | 0.94 | CASP6 (1.00) | KCNH2HTR3ACYP3A4CYP1A2HTR2B | |
| Alosetron SCHEMBL635233 | 0.93 | KCNH2 (0.96) | KCNH2HTR3ACYP3A4CYP1A2HTR2B | |
| Alosetron SCHEMBL1045 | 0.90 | KCNH2 (0.85) | KCNH2HTR3ACYP3A4CYP1A2HTR2B | |
| Alosetron SCHEMBL1046 | 0.90 | KCNH2 (0.85) | KCNH2HTR3ACYP3A4CYP1A2HTR2B | |
| SCHEMBL837 | 0.89 | KCNH2 (0.88) | KCNH2HTR3ACYP3A4CYP1A2HTR2B | |
| Alosetron SCHEMBL13345838 | 0.88 | KCNH2 (0.86) | KCNH2HTR3ACYP3A4CYP1A2HTR2B | |
| Alosetron SCHEMBL13345845 | 0.85 | KCNH2 (0.81) | KCNH2HTR3ACYP3A4CYP1A2HTR2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5360800-A | Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives | GLAXO GROUP LIMITED (GB) | 1994-11-01 | — | — | US | disclosed |
| EP-0306323-A2 | Lactam derivatives | GLAXO GROUP LIMITED (GB) | 1989-03-08 | — | — | EP | disclosed |