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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 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 SCHEMBL8024803 | 0.63 | BRD4 (0.44) | BRD4TRPA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6055978 | 0.61 | BRD4 (0.45) | BRD4TRPA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8034609 | 0.61 | BRD4 (0.45) | BRD4TRPA1SLC6A2SLC6A4SLC6A3 | |
| Bromide SCHEMBL8034447 | 0.60 | BRD4 (0.44) | BRD4TRPA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16961163 | 0.59 | OPRL1 (0.39) | BRD4TRPA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL2035849 | 0.58 | ALDH1A1 (0.47) | BRD4TRPA1CYP1A2CYP2A6NOS3 | |
| SCHEMBL29049889 | 0.58 | SLC6A2 (0.35) | TRPA1SLC6A2SLC6A4SLC6A3CYP1A2 | |
| SCHEMBL20870386 | 0.58 | SLC6A2 (0.38) | BRD4TRPA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21172833 | 0.58 | SLC6A2 (0.38) | BRD4TRPA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL166894 | 0.57 | TP53 (0.61) | TRPA1CYP1A2CYP2A6PTGS2NOS3 |
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 |