Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Astemizole. 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 | 3/20 | 0.88 |
| ▸ | KCNH2 | Q12809 | 11/20 | 0.88 |
| ▸ | SSTR5 | P35346 | 5/20 | 0.88 |
| ▸ | EED | O75530 | 2/20 | 0.88 |
| ▸ | LMNA | P02545 | 2/20 | 0.88 |
| ▸ | GAA | P10253 | 2/20 | 0.88 |
| ▸ | TACR2 | P21452 | 2/20 | 0.88 |
| ▸ | TACR1 | P25103 | 2/20 | 0.88 |
| ▸ | MEN1 | O00255 | 1/20 | 0.88 |
| ▸ | MLNR | O43193 | 1/20 | 0.88 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.88 |
| ▸ | USP2 | O75604 | 1/20 | 0.88 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.88 |
| ▸ | EGFR | P00533 | 1/20 | 0.88 |
| ▸ | HLA-A | P04439 | 1/20 | 0.88 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.88 |
| ▸ | TP53 | P04637 | 1/20 | 0.88 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.88 |
| ▸ | LCK | P06239 | 1/20 | 0.88 |
| ▸ | FYN | P06241 | 1/20 | 0.88 |
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 | |
|---|---|---|---|---|
| Astemizole SCHEMBL1682436 | 0.98 | KCNH2 (0.92) | KCNH2SSTR5HRH1EEDLMNA | |
| Astemizole SCHEMBL8026633 | 0.95 | KCNH2 (0.90) | KCNH2SSTR5HRH1EEDLMNA | |
| Astemizole SCHEMBL4385 | 0.94 | KCNH2 (1.00) | KCNH2SSTR5HRH1EEDLMNA | |
| SCHEMBL9629272 | 0.89 | EED (1.00) | KCNH2SSTR5HRH1EEDLMNA | |
| SCHEMBL23696974 | 0.89 | KCNH2 (0.90) | KCNH2SSTR5HRH1EEDLMNA | |
| [3H]-Astemizole SCHEMBL30412778 | 0.88 | KCNH2 (0.89) | KCNH2SSTR5HRH1EEDLMNA | |
| [3H]-Astemizole SCHEMBL13109223 | 0.88 | KCNH2 (0.89) | KCNH2SSTR5HRH1EEDLMNA | |
| SCHEMBL12045363 | 0.88 | KCNH2 (0.88) | KCNH2SSTR5HRH1EEDLMNA | |
| SCHEMBL25570238 | 0.87 | SSTR5 (1.00) | KCNH2SSTR5HRH1EEDLMNA | |
| SCHEMBL23696975 | 0.86 | KCNH2 (0.85) | KCNH2SSTR5HRH1EEDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013134626-A1 | PREVENTION AND TREATMENT OF RESPIRATORY INFECTION WITH PEROXISOME PROLIFERATOR ACTIVATOR RECEPTOR DELTA AGONIST | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-09-12 | — | — | WO | disclosed |
| WO-2005003302-A2 | NOVEL METHODS TO MODULATE MAST CELLS | MEDIMMUNE, INC. (US) | 2005-01-13 | — | — | WO | disclosed |