Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC9 | O60706 | 19/20 | 0.62 |
| ▸ | KCNJ11 | Q14654 | 19/20 | 0.62 |
| ▸ | ABCC8 | Q09428 | 17/20 | 0.62 |
| ▸ | KCNJ8 | Q15842 | 17/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7095905 | 0.98 | ABCC9 (0.64) | ABCC9KCNJ11ABCC8KCNJ8ALDH1A1 | |
| SCHEMBL7097221 | 0.94 | ABCC9 (0.60) | ABCC9KCNJ11ABCC8KCNJ8ALDH1A1 | |
| SCHEMBL6929238 | 0.92 | ABCC9 (0.64) | ABCC9KCNJ11ABCC8KCNJ8 | |
| SCHEMBL7101463 | 0.87 | ABCC9 (0.64) | ABCC9KCNJ11ABCC8KCNJ8ALDH1A1 | |
| SCHEMBL7823829 | 0.82 | ABCC9 (0.84) | ABCC9KCNJ11ABCC8KCNJ8 | |
| SCHEMBL7850587 | 0.81 | ABCC9 (0.56) | ABCC9KCNJ11ABCC8KCNJ8ALDH1A1 | |
| SCHEMBL6925767 | 0.80 | ABCC9 (0.66) | ABCC9KCNJ11ABCC8KCNJ8 | |
| SCHEMBL6905280 | 0.80 | ABCC9 (0.63) | ABCC9KCNJ11ABCC8KCNJ8ALDH1A1 | |
| SCHEMBL7836348 | 0.77 | ABCC9 (0.72) | ABCC9KCNJ11ABCC8KCNJ8ALDH1A1 | |
| SCHEMBL7099792 | 0.77 | ABCC9 (1.00) | ABCC9KCNJ11ABCC8KCNJ8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1278746-A2 | DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE | Abbott Laboratories (US) | 2003-01-29 | — | — | EP | disclosed |
| WO-2001083480-A2 | DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2001-11-08 | — | — | WO | disclosed |
| EP-1131322-A2 | DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000024741-A2 | DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS | ABBOTT LABORATORIES (US) | 2000-05-04 | — | — | WO | disclosed |