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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 SCHEMBL6889645 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL6893343 | 0.90 | BRD4 (0.34) | — | |
| Hydrochloric Acid SCHEMBL6895151 | 0.90 | CHRNB2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6892793 | 0.86 | CYP3A4 (0.35) | — | |
| Hydrochloric Acid SCHEMBL6893825 | 0.86 | BRD4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL6892040 | 0.86 | EDNRB (0.32) | — | |
| Hydrochloric Acid SCHEMBL6892092 | 0.86 | CYP11B1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6890861 | 0.85 | BRD4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6893101 | 0.85 | CHRNB2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL6892131 | 0.84 | FFAR2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6784305-B2 | DERIVATIVES OF ZIRCONOCENE DICHLORIDE IN WHICH THE TWO SUBSTITUTED INDENYL GROUPS ARE JOINED TO ONE ANOTHER VIA A BRIDGE CAN, OWING TO THEIR CONFORMATIONAL RIGIDITY, BE USED AS CATALYSTS FOR THE STEREOSPECIFIC POLYMERIZATION OF OLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2004-08-31 | — | — | US | disclosed |
| US-20030199703-A1 | Method for producing alkyl-bridged ligand systems and transition metal compounds | EQUISTAR CHEMICALS, LP | 2003-10-23 | — | — | US | disclosed |