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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 18/20 | 0.98 |
| ▸ | PTAFR known ✓ | P25105 | 1/20 | 0.98 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.65 |
| ▸ | FNTA | P49354 | 2/20 | 0.59 |
| ▸ | FNTB | P49356 | 2/20 | 0.59 |
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 SCHEMBL27703 | 0.99 | HRH1 (1.00) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL30730975 | 0.99 | HRH1 (1.00) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL29400290 | 0.99 | HRH1 (1.00) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL28585002 | 0.98 | HRH1 (0.98) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL28086201 | 0.94 | HRH1 (0.90) | HRH1PTAFRKCNH2FNTAFNTB | |
| SCHEMBL16385871 | 0.93 | HRH1 (0.87) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL29602857 | 0.92 | HRH1 (0.86) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL29101069 | 0.92 | HRH1 (0.86) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL31116805 | 0.92 | HRH1 (0.86) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL19474963 | 0.92 | HRH1 (0.86) | HRH1PTAFRKCNH2FNTAFNTB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240082228-A1 | SARS-COV-2 THERAPEUTICS | MODEL MEDICINES INC (US) | 2024-03-14 | — | — | US | disclosed |
| US-7927613-B2 | Pharmaceutical co-crystal compositions | UNIVERSITY OF SOUTH FLORIDA (US) | 2011-04-19 | — | — | US | disclosed |
| US-7790905-B2 | Pharmaceutical propylene glycol solvate compositions | MCNEIL-PPC, INC. (US) | 2010-09-07 | — | — | US | disclosed |