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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 known ✓ | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG known ✓ | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 known ✓ | P11230 | 1/20 | 0.33 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.33 |
| ▸ | CHRND known ✓ | Q07001 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.35 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 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 SCHEMBL8606095 | 0.85 | CA12 (0.39) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL7599196 | 0.83 | CA12 (0.37) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL7601274 | 0.83 | CA12 (0.37) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL796973 | 0.77 | CRHR1 (0.36) | CA12CA1CA2CA9EDNRB | |
| SCHEMBL797656 | 0.77 | CRHR1 (0.36) | CA12CA1CA2CA9CYP2A6 | |
| Methane SCHEMBL7937872 | 0.73 | EGFR (0.34) | CA12CA1CA2CA9CYP2A6 | |
| SCHEMBL20609436 | 0.72 | CYP2A6 (0.55) | CA12CA1CA2CA9CYP2A6 | |
| Hydrochloric Acid SCHEMBL8604781 | 0.71 | CA12 (0.34) | CA12CA1CA2CA9CYP1A2 | |
| Hydrochloric Acid SCHEMBL17818101 | 0.69 | DRD2 (0.36) | DRD2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8915890 | 0.68 | EDNRB (0.38) | CA12CA1CA2CA9EDNRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0780396-B1 | Process for depleting by-products in reaction mixtures | BASELL POLYOLEFINE GMBH (DE) | 2002-10-02 | — | — | EP | disclosed |
| US-5770752-A | Process for reducing the concentration of by-products in product mixtures | TARGOR GMBH (DE) | 1998-06-23 | — | — | US | disclosed |
| EP-0780396-A1 | Process for depleting by-products in reaction mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-06-25 | — | — | EP | disclosed |