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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.36 |
| ▸ | CES1 | P23141 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | NR5A1 | Q13285 | 2/20 | 0.31 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
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 SCHEMBL722079 | 0.79 | NPC1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7626373 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6904256 | 0.69 | PTGS2 (0.33) | CES2CES1PTGS2TRPV1NAAA | |
| SCHEMBL16457673 | 0.67 | CYP2B6 (0.33) | ESR1 | |
| Hydrochloric Acid SCHEMBL4534414 | 0.67 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL27482570 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL6477300 | 0.65 | — | — | |
| SCHEMBL12814587 | 0.65 | OPRL1 (0.36) | — | |
| SCHEMBL12815236 | 0.65 | APOBEC3A (0.35) | KCNH2 | |
| Hydrochloric Acid SCHEMBL6908439 | 0.64 | MEN1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6790917-B2 | POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-09-14 | — | — | US | disclosed |
| US-20020198340-A1 | Process for producing vinyl compound polymer | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-12-26 | — | — | US | disclosed |