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 SCHEMBL6466500 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL6463310 | 0.81 | ADRB1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL6469408 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL6533799 | 0.79 | ADRB1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL6466802 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL6464604 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL6066825 | 0.60 | RAB9A (0.34) | — | |
| Hydrochloric Acid SCHEMBL6533079 | 0.56 | — | — | |
| SCHEMBL8858300 | 0.55 | IDO1 (0.30) | — | |
| SCHEMBL28341725 | 0.55 | IDO1 (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0953580-B1 | Preparation and use of heterogeneous catalyst components for olefins polymerization | REPSOL QUIMICA SA (ES) | 2004-04-14 | — | — | EP | disclosed |
| US-20030144135-A1 | PREPARATION AND USE OF HETEROGENEOUS CATALYST COMPONENTS FOR OLEFINS POLYMERIZATION | REPSOL QUIMICA S.A. (ES) | 2003-07-31 | — | — | US | disclosed |
| EP-0955306-B1 | Functionalized metallocene compounds, synthesis process and use thereof | REPSOL QUIMICA SA (ES) | 2003-01-22 | — | — | EP | disclosed |
| US-6114555-A | Functionalized metallocene compounds, synthesis process and use thereof | REPSOL QUIMICA S.A. (ES) | 2000-09-05 | — | — | US | disclosed |
| EP-0955306-A1 | Functionalized metallocene compounds, synthesis process and use thereof | REPSOL QUIMICA S.A. (ES) | 1999-11-10 | — | — | EP | disclosed |