Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Rel-Cisapride. 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 | |
|---|---|---|---|---|
| ▸ | HTR4 known ✓ | Q13639 | 15/20 | 0.98 |
| ▸ | KCNH2 | Q12809 | 9/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.98 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.98 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.98 |
| ▸ | USP2 | O75604 | 1/20 | 0.98 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.98 |
| ▸ | MLNR | O43193 | 1/20 | 0.98 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.98 |
| ▸ | HTR3B | O95264 | 1/20 | 0.98 |
| ▸ | HMGCR | P04035 | 1/20 | 0.98 |
| ▸ | HTR1A | P08908 | 1/20 | 0.98 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.98 |
| ▸ | DRD2 | P14416 | 1/20 | 0.98 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.98 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.98 |
| ▸ | DRD1 | P21728 | 1/20 | 0.98 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.98 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.98 |
| ▸ | HTR2A | P28223 | 1/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Rel-Cisapride SCHEMBL8211185 | 1.00 | HTR4 (0.98) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Rel-Cisapride SCHEMBL9721860 | 1.00 | HTR4 (0.98) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Cisapride SCHEMBL8211180 | 1.00 | HTR4 (0.98) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Rel-Cisapride SCHEMBL16133 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Rel-Cisapride SCHEMBL29389140 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Rel-Cisapride SCHEMBL16132 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Rel-Cisapride SCHEMBL1759279 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Rel-Cisapride SCHEMBL7854542 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Cisapride SCHEMBL5053853 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Cisapride SCHEMBL16131 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110721151-B | Simethicone compound liquid composition and preparation method and application thereof | 远大生命科学(武汉)有限公司 | 2023-09-12 | — | — | CN | disclosed |
| CN-110721151-A | Simethicone compound liquid composition and preparation method and application thereof | 武汉大安制药有限公司 | 2020-01-24 | — | — | CN | disclosed |
| CN-105744983-B | Device and method for sustained release of therapeutic agents of low water solubility in solubilizing agents | 纳米医学系统公司 | 2019-12-27 | — | — | CN | disclosed |
| US-6126970-A | Cisapride sustained release | JANSSEN PHARMACEUTICA N.V. (BE) | 2000-10-03 | — | — | US | disclosed |
| EP-0866707-A1 | CISAPRIDE SUSTAINED RELEASE | JANSSEN PHARMACEUTICA N.V. (BE) | 1998-09-30 | — | — | EP | disclosed |
| WO-1997020562-A1 | CISAPRIDE SUSTAINED RELEASE | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-06-12 | — | — | WO | disclosed |