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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 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 SCHEMBL7937637 | 0.78 | CYP11B2 (0.31) | CYP11B2CYP11B1 | |
| SCHEMBL7937192 | 0.77 | PTGS2 (0.39) | PTGS2CYP11B2CYP11B1MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL6761124 | 0.70 | CYP11B2 (0.42) | PTGS2CYP11B2CYP11B1MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL8319505 | 0.70 | CYP11B2 (0.42) | PTGS2CYP11B2CYP11B1MTNR1AMTNR1B | |
| SCHEMBL1452101 | 0.69 | ACHE (0.41) | PTGS2CYP11B2CYP11B1MTNR1AMTNR1B | |
| SCHEMBL2743954 | 0.69 | CYP11B2 (0.41) | PTGS2CYP11B2CYP11B1MTNR1AMTNR1B | |
| SCHEMBL15121440 | 0.69 | CYP11B2 (0.41) | PTGS2CYP11B2CYP11B1MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL7937618 | 0.69 | CYP11B2 (0.34) | PTGS2CYP11B2CYP11B1MTNR1AMTNR1B | |
| SCHEMBL8854215 | 0.68 | ACHE (0.40) | PTGS2CYP11B2CYP11B1MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL6761120 | 0.67 | ACHE (0.39) | PTGS2CYP11B2CYP11B1MTNR1AMTNR1B |
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-6248912-B1 | OF TRANSITION METALS HAVING A TETRAHYDROINDENYL LIGAND BONDED IN THE 2-POSITION | BAYER AKTIENGESELLSCHAFT (DE) | 2001-06-19 | — | — | US | disclosed |