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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CDC25A | P30304 | 1/20 | 0.32 |
| ▸ | CDC25B | P30305 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30018454 | 0.96 | PTGS2 (0.41) | CYP11B2PTGS2CYP11B1MAOAMAOB | |
| SCHEMBL1577597 | 0.96 | PTGS2 (0.41) | CYP11B2PTGS2CYP11B1MAOAMAOB | |
| SCHEMBL27587040 | 0.94 | PTGS2 (0.40) | CYP11B2PTGS2CYP11B1MAOAMAOB | |
| SCHEMBL27424185 | 0.89 | PTGS2 (0.37) | CYP11B2PTGS2CYP11B1MAOAMAOB | |
| SCHEMBL4652068 | 0.83 | PTGS2 (0.41) | CYP11B2PTGS2CYP11B1MAOAMAOB | |
| SCHEMBL4541862 | 0.80 | HTR2A (0.40) | CYP11B2PTGS2CYP11B1MAOAMAOB | |
| SCHEMBL18538825 | 0.80 | MAOA (0.41) | CYP11B2PTGS2CYP11B1MAOAMAOB | |
| SCHEMBL5668053 | 0.80 | PTGS2 (0.39) | CYP11B2PTGS2CYP11B1MAOAMAOB | |
| Hydrochloric Acid SCHEMBL30216607 | 0.79 | CYP11B2 (0.41) | CYP11B2PTGS2CYP11B1MAOAMAOB | |
| Hydrochloric Acid SCHEMBL30216606 | 0.78 | CYP11B2 (0.40) | CYP11B2PTGS2CYP11B1MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0938491-A1 | HETEROCYCLIC METALLOCENES AND POLYMERIZATION CATALYSTS | Montell Technology Company B.V. (NL) | 1999-09-01 | — | — | EP | disclosed |
| WO-1998022486-A1 | HETEROCYCLIC METALLOCENES AND POLYMERIZATION CATALYSTS | MONTELL TECHNOLOGY COMPANY B.V. (NL) | 1998-05-28 | — | — | WO | disclosed |