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 | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | ALPL | P05186 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.50 |
| ▸ | ALPG | P10696 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | IDO1 | P14902 | 3/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 SCHEMBL11465830 | 0.94 | CYP2C19 (0.56) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL206 | 0.94 | CYP2C19 (0.56) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Bromide SCHEMBL27685571 | 0.91 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Water SCHEMBL28337531 | 0.91 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27941071 | 0.91 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7136112 | 0.91 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL27626378 | 0.91 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5209418 | 0.91 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27597743 | 0.91 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5209412 | 0.91 | CYP2C19 (0.54) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6512058-B1 | A method of producing modified vinyl ether polymers, wherein vinyl either polymers comprising recurring units having formula where R represents C2-C4 alkyl group and x denotes an integer having the formula Y-OH, wherein Y represents | BYJ-CHEMIE GMBH (DE) | 2003-01-28 | — | — | US | disclosed |