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 | |
|---|---|---|---|---|
| SCHEMBL216478 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL28505760 | 0.86 | — | — | |
| SCHEMBL7397830 | 0.86 | — | — | |
| Bromide SCHEMBL29096711 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL28675739 | 0.86 | — | — | |
| Fluoride SCHEMBL25198266 | 0.86 | — | — | |
| SCHEMBL28707904 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL117292 | 0.86 | — | — | |
| Iodomethane SCHEMBL8341844 | 0.82 | — | — | |
| Trimethylammonium SCHEMBL27774565 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024056782-A1 | SULFONE-SUBSTITUTED PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER | BAYER AKTIENGESELLSCHAFT (DE) | 2024-03-21 | — | — | WO | disclosed |
| EP-2513098-A1 | AMINOPYRIMIDINES AS SYK INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011075515-A1 | AMINOPYRIMIDINES AS SYK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-06-23 | — | — | WO | disclosed |