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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAPGEF4 | Q8WZA2 | 15/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5657073 | 0.84 | RAPGEF4 (0.57) | RAPGEF4ALDH1A1FFAR4 | |
| SCHEMBL11334768 | 0.76 | RAPGEF4 (0.48) | RAPGEF4ALDH1A1 | |
| SCHEMBL17742291 | 0.69 | ALDH1A1 (0.45) | RAPGEF4ALDH1A1RAB9A | |
| SCHEMBL14446446 | 0.68 | ALDH1A1 (0.42) | RAPGEF4ALDH1A1RAB9AFFAR4 | |
| SCHEMBL13550088 | 0.67 | RAPGEF4 (0.43) | RAPGEF4ALDH1A1FFAR4 | |
| SCHEMBL4696777 | 0.66 | RAPGEF4 (0.39) | RAPGEF4ALDH1A1 | |
| SCHEMBL459156 | 0.66 | RAPGEF4 (0.39) | RAPGEF4ALDH1A1 | |
| SCHEMBL23885529 | 0.65 | HTT (0.47) | RAPGEF4ALDH1A1RAB9A | |
| SCHEMBL502929 | 0.65 | RAPGEF4 (1.00) | RAPGEF4 | |
| Hydrochloric Acid SCHEMBL15329321 | 0.64 | ALDH1A1 (0.50) | RAPGEF4ALDH1A1RAB9A |
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-1960442-A1 | HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007070046-A1 | HALOGEN SUBSTITUTED HETEROATOM-CONTAINING METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2007-06-21 | — | — | WO | disclosed |