Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Vapitadine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 2/20 | 1.00 |
| ▸ | HTR2A | P28223 | 5/20 | 0.42 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Vapitadine SCHEMBL29379463 | 1.00 | HRH1 (1.00) | HRH1HTR2AHTR2CDRD2SLC6A2 | |
| Vapitadine SCHEMBL3463472 | 0.99 | HRH1 (1.00) | HRH1HTR2AHTR2CDRD2SLC6A2 | |
| SCHEMBL6440008 | 0.89 | HRH1 (0.80) | HRH1HTR2AHTR2CHTR2BSIGMAR1 | |
| Water SCHEMBL6031226 | 0.88 | HRH1 (0.78) | HRH1HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL6029703 | 0.87 | HRH1 (0.77) | HRH1HTR2AHTR2CSLC6A2HTR2B | |
| SCHEMBL6030546 | 0.84 | HRH1 (0.72) | HRH1HTR2AHTR2CHTR2BSIGMAR1 | |
| Hydrochloric Acid SCHEMBL6440622 | 0.83 | HRH1 (0.73) | HRH1HTR2AHTR2CDRD2SLC6A2 | |
| SCHEMBL6031708 | 0.83 | HRH1 (0.71) | HRH1HTR2AHTR2CDRD2HTR2B | |
| SCHEMBL6031453 | 0.81 | HRH1 (0.67) | HRH1 | |
| SCHEMBL6030956 | 0.80 | HRH1 (0.66) | HRH1HTR2AHTR2CDRD2SLC6A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144411-B1 | ANTIHISTAMINIC SPIRO COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2005-04-27 | — | — | EP | claimed |