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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 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 SCHEMBL5188847 | 0.77 | CYP11B2 (0.36) | CYP11B2CYP11B1PTGS2MTNR1AMTNR1B | |
| SCHEMBL5179240 | 0.76 | CYP11B2 (0.34) | CYP11B2CYP11B1PTGS2MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL7937618 | 0.75 | CYP11B2 (0.34) | CYP11B2CYP11B1PTGS2MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL6764889 | 0.74 | CYP11B2 (0.33) | CYP11B2CYP11B1PTGS2MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL8319505 | 0.73 | CYP11B2 (0.42) | CYP11B2CYP11B1PTGS2MTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL6761124 | 0.73 | CYP11B2 (0.42) | CYP11B2CYP11B1PTGS2MTNR1AMTNR1B | |
| Tert-Butylamine SCHEMBL7946712 | 0.73 | CYP11B2 (0.37) | CYP11B2CYP11B1PTGS2MTNR1AMTNR1B | |
| SCHEMBL1452101 | 0.73 | ACHE (0.41) | CYP11B2CYP11B1PTGS2MTNR1AMTNR1B | |
| SCHEMBL15121440 | 0.73 | CYP11B2 (0.41) | CYP11B2CYP11B1PTGS2MTNR1AMTNR1B | |
| SCHEMBL2743954 | 0.73 | CYP11B2 (0.41) | CYP11B2CYP11B1PTGS2MTNR1AMTNR1B |
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 |
|---|---|---|---|---|---|---|---|
| JP-11292934-A | — | — | None | — | — | JP | disclosed |
| US-6248912-B1 | OF TRANSITION METALS HAVING A TETRAHYDROINDENYL LIGAND BONDED IN THE 2-POSITION | BAYER AKTIENGESELLSCHAFT (DE) | 2001-06-19 | — | — | US | disclosed |
| JP-H11292934-A | ATACTIC PROPYLENE (CO)POLYMER | BAYER AG | 1999-10-26 | — | — | JP | disclosed |
| EP-0940408-A1 | Metalorganic compounds | Bayer Aktiengesellschaft (DE) | 1999-09-08 | — | — | EP | disclosed |