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 | 18/20 | 0.86 |
| ▸ | PTAFR known ✓ | P25105 | 2/20 | 0.86 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.67 |
| ▸ | FNTA | P49354 | 3/20 | 0.60 |
| ▸ | FNTB | P49356 | 3/20 | 0.60 |
| ▸ | SLC6A15 | Q9H2J7 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.58 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.58 |
| ▸ | GMNN | O75496 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.58 |
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 SCHEMBL31116805 | 1.00 | HRH1 (0.86) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL29101069 | 1.00 | HRH1 (0.86) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL180512 | 1.00 | HRH1 (0.86) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL29602857 | 1.00 | HRH1 (0.86) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL180121 | 1.00 | HRH1 (0.86) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL27743704 | 0.98 | HRH1 (0.82) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL29400290 | 0.93 | HRH1 (1.00) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL27703 | 0.93 | HRH1 (1.00) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL30730975 | 0.93 | HRH1 (1.00) | HRH1PTAFRKCNH2FNTAFNTB | |
| Rupatadine SCHEMBL28585002 | 0.92 | HRH1 (0.98) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3397284-A1 | BILAYER TABLET FORMULATIONS OF MONTELUKAST AND RUPATADINE | Sanovel Ilac Sanayi ve Ticaret A.S. (TR) | 2018-11-07 | — | — | EP | disclosed |
| WO-2017182641-A1 | BILAYER TABLET FORMULATIONS OF MONTELUKAST AND RUPATADINE | SANOVEL ILAC SANAYI VE TICARET A.S. (TR) | 2017-10-26 | — | — | WO | disclosed |