Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cetirizine. 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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 4/20 | 1.00 |
| ▸ | DRD3 | P35462 | 4/20 | 0.98 |
| ▸ | USP2 | O75604 | 3/20 | 0.98 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.98 |
| ▸ | HRH2 | P25021 | 2/20 | 0.98 |
| ▸ | HTR2A | P28223 | 2/20 | 0.98 |
| ▸ | HTR2B | P41595 | 2/20 | 0.98 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.98 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.98 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.98 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.98 |
| ▸ | TEK | Q02763 | 1/20 | 0.98 |
| ▸ | DRD2 | P14416 | 3/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.73 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.73 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.73 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.73 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.73 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.73 |
| ▸ | DRD4 | P21917 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| Levocetirizine SCHEMBL144375 | 1.00 | HRH1 (1.00) | HRH1DRD3USP2TDP1HRH2 | |
| Cetirizine SCHEMBL41108 | 1.00 | HRH1 (1.00) | HRH1DRD3USP2TDP1HRH2 | |
| Cetirizine SCHEMBL17800801 | 1.00 | HRH1 (1.00) | HRH1DRD3USP2TDP1HRH2 | |
| Cetirizine SCHEMBL41107 | 1.00 | HRH1 (1.00) | HRH1DRD3USP2TDP1HRH2 | |
| Levocetirizine SCHEMBL2255374 | 1.00 | HRH1 (1.00) | HRH1DRD3USP2TDP1HRH2 | |
| Levocetirizine SCHEMBL4914 | 0.99 | DRD3 (1.00) | HRH1DRD3USP2TDP1HRH2 | |
| Levocetirizine SCHEMBL5935097 | 0.99 | DRD3 (1.00) | HRH1DRD3USP2TDP1HRH2 | |
| Cetirizine SCHEMBL13724610 | 0.99 | DRD3 (1.00) | HRH1DRD3USP2TDP1HRH2 | |
| Cetirizine SCHEMBL4176 | 0.99 | DRD3 (1.00) | HRH1DRD3USP2TDP1HRH2 | |
| Cetirizine SCHEMBL2455487 | 0.99 | DRD3 (1.00) | HRH1DRD3USP2TDP1HRH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117209453-A | Preparation and application of levocetirizine hydrochloride intermediate | 迪嘉药业集团股份有限公司 | 2023-12-12 | — | — | CN | disclosed |
| US-7199241-B1 | Process for preparing (S) and (R)-2-[4-(4-chlorobenzhydryl)piperazin-1-yl]-ethoxyacetamide | UCB, S.A. (BE) | 2007-04-03 | — | — | US | disclosed |
| US-6977301-B1 | Process for preparing (S) and (R)—2-[4-(4-chlorobenzhydryl)piperazin-1-yl]-ethoxyacetamide | UCB, S.A. (BE) | 2005-12-20 | — | — | US | disclosed |
| US-6265579-B1 | TREATING SOLUTION COMPRISING PIPERAZINE-SUBSTITUTED ETHANOL AND LEAVING GROUP-SUBSTITUTED ALIPHATIC ESTER WITH BASE IN PRESENCE OF PHASE TRANSFER CATALYST TO FORM CORRESPONDING ALIPHATIC CARBOXYLATE, HYDROLYZING WITH ACID | SALSBURY CHEMICALS, INC. | 2001-07-24 | — | — | US | disclosed |