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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.46 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.41 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.41 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.41 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.41 |
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 SCHEMBL27566939 | 0.81 | NISCH (0.38) | CLK4NISCHNOTUMACHE | |
| Hydrochloric Acid SCHEMBL9348078 | 0.78 | DYRK1A (0.46) | DYRK1ACLK4NISCHGAACYP1A1 | |
| Hydrochloric Acid SCHEMBL27519512 | 0.78 | NISCH (0.38) | NISCHCYP3A4NOTUMDRD2DRD4 | |
| Hydrochloric Acid SCHEMBL27545988 | 0.77 | NISCH (0.42) | NISCHNOTUM | |
| SCHEMBL9066357 | 0.76 | DYRK1A (0.44) | DYRK1ACLK4NISCHGAACYP1A1 | |
| Hydrochloric Acid SCHEMBL9066354 | 0.75 | DYRK1A (0.42) | DYRK1ACLK4NISCHGAACYP1A1 | |
| Hydrochloric Acid SCHEMBL9348084 | 0.75 | DYRK1A (0.42) | DYRK1ACLK4NISCHGAACYP1A1 | |
| Hydrochloric Acid SCHEMBL27519522 | 0.74 | NISCH (0.38) | NISCHCYP1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5821611 | 0.73 | DYRK1A (0.44) | DYRK1ACLK4NISCHGAACYP1A1 | |
| Hydrochloric Acid SCHEMBL7932885 | 0.72 | CHRNB4 (0.34) | NISCHCYP3A4NOTUMDRD2DRD4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0540108-B1 | Catalyst composition | SHELL INT RESEARCH (NL) | 1996-01-03 | — | — | EP | claimed |
| US-5279999-A | Catalyst composition | SHELL OIL COMPANY (US) | 1994-01-18 | — | — | US | claimed |
| EP-0540108-A1 | Catalyst composition | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-05-05 | — | — | EP | claimed |
| US-5279999-A | Catalyst composition | SHELL OIL COMPANY (US) | 1994-01-18 | — | — | US | disclosed |