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 | |
|---|---|---|---|---|
| SCHEMBL94013 | 0.97 | — | — | |
| SCHEMBL29761092 | 0.97 | — | — | |
| Water SCHEMBL29999382 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL4721943 | 0.94 | HSP90AA1 (0.94) | — | |
| Hydrochloric Acid SCHEMBL27436731 | 0.94 | — | — | |
| SCHEMBL29564027 | 0.94 | — | — | |
| Water SCHEMBL30678037 | 0.94 | HSP90AA1 (0.94) | — | |
| Hydrochloric Acid SCHEMBL4719153 | 0.94 | — | — | |
| Fluoride SCHEMBL27631921 | 0.94 | — | — | |
| Methane SCHEMBL28146623 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3833350-A1 | PYRROLOPYRIMIDINE ITK INHIBITORS | Aclaris Therapeutics, Inc. (US) | 2021-06-16 | — | — | EP | disclosed |
| WO-2020033955-A1 | PYRROLOPYRIMIDINE ITK INHIBITORS | ACLARIS THERAPEUTICS, INC. (US) | 2020-02-13 | — | — | WO | disclosed |