Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cloxacepride. 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 | |
|---|---|---|---|---|
| ▸ | SCNN1A known ✓ | P37088 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Cloxacepride SCHEMBL2109155 | 0.85 | CYP2D6 (0.58) | CYP1A2CYP2D6ADRA2ADRD3HTR3E | |
| SCHEMBL11547614 | 0.72 | ADRA2A (0.57) | CYP1A2CYP2D6ADRA2ADRD3HTR3E | |
| SCHEMBL17068279 | 0.71 | ADRA2A (0.61) | CYP1A2CYP2D6ADRA2ADRD3HTR3E | |
| SCHEMBL11371588 | 0.70 | NPC1 (0.61) | CYP1A2CYP2D6ALDH1A1LMNARAB9A | |
| SCHEMBL11543418 | 0.70 | ADRA2A (0.55) | CYP1A2CYP2D6ADRA2ADRD3HTR3E | |
| SCHEMBL31437345 | 0.70 | ADRA2A (0.70) | CYP1A2CYP2D6ADRA2ADRD3HTR3E | |
| SCHEMBL20348311 | 0.70 | ADRA2A (0.70) | CYP1A2CYP2D6ADRA2ADRD3HTR3E | |
| SCHEMBL5925593 | 0.70 | ADRA2A (0.70) | CYP1A2CYP2D6ADRA2ADRD3HTR3E | |
| SCHEMBL18585807 | 0.69 | ADRA2A (0.58) | CYP1A2CYP2D6ADRA2ADRD3HTR3E | |
| Hydrochloric Acid SCHEMBL5925589 | 0.69 | RAB9A (0.71) | CYP1A2CYP2D6ADRA2ADRD3HTR3E |
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-0748217-A1 | COMPOSITIONS COMPRISING A MAST CELL DEGRANULATION-BLOCKING AGENT FOR TREATMENT OF ENDOGENOUS, PAINFUL GASTROINTESTINAL CONDITIONS OF NON-INFLAMMATORY, NON-ULCERATIVE ORIGIN | KOS PHARMACEUTICALS, INC. (US) | 1996-12-18 | — | — | EP | disclosed |
| WO-1995021611-A2 | COMPOSITIONS COMPRISING A MAST CELL DEGRANULATION-BLOCKING AGENT FOR TREATMENT OF ENDOGENOUS, PAINFUL GASTROINTESTINAL CONDITIONS OF NON-INFLAMMATORY, NON-ULCERATIVE ORIGIN | KOS PHARMACEUTICALS, INC. (US) | 1995-08-17 | — | — | WO | disclosed |