Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Rupatadine. 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 | 19/20 | 0.90 |
| ▸ | PTAFR known ✓ | P25105 | 1/20 | 0.90 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.65 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.65 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.65 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.65 |
| ▸ | HTR1A | P08908 | 1/20 | 0.65 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.65 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.65 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.65 |
| ▸ | DRD2 | P14416 | 1/20 | 0.65 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.65 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.65 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.65 |
| ▸ | DRD1 | P21728 | 1/20 | 0.65 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.65 |
| ▸ | DRD4 | P21917 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| Rupatadine SCHEMBL29400290 | 0.95 | HRH1 (1.00) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL27703 | 0.95 | HRH1 (1.00) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL30730975 | 0.95 | HRH1 (1.00) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL28585002 | 0.94 | HRH1 (0.98) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL1649670 | 0.94 | HRH1 (0.98) | HRH1PTAFRKCNH2FNTAFNTB | |
| SCHEMBL16385871 | 0.89 | HRH1 (0.87) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL31116805 | 0.88 | HRH1 (0.86) | HRH1PTAFRKCNH2MEN1LMNA | |
| Rupatadine SCHEMBL29101069 | 0.88 | HRH1 (0.86) | HRH1PTAFRKCNH2MEN1LMNA | |
| Rupatadine SCHEMBL19474963 | 0.88 | HRH1 (0.86) | HRH1PTAFRKCNH2MEN1LMNA | |
| Rupatadine SCHEMBL180512 | 0.88 | HRH1 (0.86) | HRH1PTAFRKCNH2MEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |