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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 SCHEMBL5390137 | 0.81 | CYP3A4 (0.31) | CYP3A4TDP1CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL5387865 | 0.81 | CYP3A4 (0.31) | CYP3A4TDP1CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL5390367 | 0.81 | CYP3A4 (0.31) | CYP3A4TDP1CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL5610770 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL5610179 | 0.79 | CYP3A4 (0.31) | CYP3A4TDP1CHRNB2CHRNA4 | |
| SCHEMBL5390146 | 0.78 | CYP3A4 (0.31) | CYP3A4TDP1CHRNB2CHRNA4 | |
| SCHEMBL5387870 | 0.77 | CHRNB2 (0.32) | CHRNB2CHRNA4 | |
| SCHEMBL5610185 | 0.77 | — | — | |
| SCHEMBL5390374 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL5709139 | 0.75 | PDCD1 (0.35) | CHRNB2CHRNA4 |
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-1737875-A1 | PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Patents Inc. (US) | 2007-01-03 | — | — | EP | claimed |
| WO-2005108410-A1 | PHOSPHORUS SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2005-11-17 | — | — | WO | claimed |