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 SCHEMBL7640016 | 0.88 | ESR1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7634785 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6285166 | 0.77 | S1PR1 (0.32) | — | |
| SCHEMBL6924008 | 0.74 | — | — | |
| SCHEMBL6923698 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6923701 | 0.69 | PTAFR (0.30) | — | |
| Hydrochloric Acid SCHEMBL6289884 | 0.68 | ESR1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL6287664 | 0.68 | S1PR1 (0.33) | — | |
| SCHEMBL6925960 | 0.67 | RXRA (0.33) | — | |
| SCHEMBL28351551 | 0.67 | RXRA (0.33) | — |
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-6479685-B2 | POLYMERIZING ETHYLENE AND ANOTHER ALPHA-OLEFIN IN THE PRESENCE OF AN UNBRIDGED, ROTATING, NON-RIGID FLUXIONAL METALLOCENE CATALYST COMPONENT AND A CO-CATALYST | THE BOARD OF TRUSTEES OF THE LELAND STANDARD JUNIOR UNIVERSITY | 2002-11-12 | — | — | US | disclosed |
| US-6169151-B1 | MADE BY POLYMERIZING ETHYLENE AND ALPHA-OLEFIN(S) USING AN UNBRIDGED, ROTATING, NON-RIGID FLUXIONAL METALLOCENE CATALYST AND COCATALYST; CRYSTALLIZABLE ELASTOMERIC COPOLYMER PRODUCT HAS HIGHER MELTING POINT, NARROW COMPOSITION DISTRIBUTION | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2001-01-02 | — | — | US | disclosed |