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 | |
|---|---|---|---|---|
| Cisapride SCHEMBL9074812 | 1.00 | HTR4 (0.98) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Cisapride SCHEMBL16131 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Cisapride SCHEMBL5053853 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Rel-Cisapride SCHEMBL29389140 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Rel-Cisapride SCHEMBL1759279 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Rel-Cisapride SCHEMBL16133 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Rel-Cisapride SCHEMBL16132 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Rel-Cisapride SCHEMBL7854542 | 0.99 | HTR4 (1.00) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Rel-Cisapride SCHEMBL8211188 | 0.98 | HTR4 (0.98) | HTR4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Cisapride SCHEMBL8211180 | 0.98 | HTR4 (0.98) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0707492-A1 | H 2? ANTAGONIST-GASTROINTESTINAL MOTILITY AGENT COMBINATIONS | MERCK & CO. INC. (US) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995001803-A1 | H2 ANTAGONIST-GASTROINTESTINAL MOTILITY AGENT COMBINATIONS | MERCK & CO., INC. (US) | 1995-01-19 | — | — | WO | disclosed |