Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cilansetron. 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 | |
|---|---|---|---|---|
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.60 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.60 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.60 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.60 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.60 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.60 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.60 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.60 |
| ▸ | HTR2B | P41595 | 1/20 | 0.60 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.60 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.60 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.60 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.60 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| Cilansetron SCHEMBL3157229 | 1.00 | CYP3A4 (0.60) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL29883205 | 1.00 | CYP3A4 (0.60) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL5764110 | 1.00 | CYP3A4 (0.60) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL3452925 | 0.99 | CYP3A4 (0.59) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL7427797 | 0.99 | CYP3A4 (0.61) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL29883543 | 0.99 | CYP3A4 (0.61) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL678512 | 0.99 | CYP3A4 (0.61) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL15950 | 0.99 | CYP3A4 (0.61) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| Cilansetron SCHEMBL29019018 | 0.98 | CYP3A4 (0.60) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E | |
| SCHEMBL21043399 | 0.87 | CYP3A4 (0.47) | CYP3A4KCNH2CYP1A2CYP2D6HTR3E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0601345-B1 | Medicament containing an imidazol-1-yl compound | KALI CHEMIE PHARMA GMBH (DE) | 1996-10-02 | — | — | EP | disclosed |
| US-5438068-A | Treatment of irritable bowel syndrome | KALI-CHEMIE PHARMA (DE) | 1995-08-01 | — | — | US | disclosed |
| EP-0601345-A1 | Medicament containing an imidazol-1-yl compound | Kali-Chemie Pharma GmbH (DE) | 1994-06-15 | — | — | EP | disclosed |