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 SCHEMBL5705172 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10409847 | 0.82 | KDM3A (0.50) | — | |
| Hydrochloric Acid SCHEMBL8845531 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL24279 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL8855133 | 0.82 | KDM3A (0.50) | — | |
| Hydrochloric Acid SCHEMBL11058934 | 0.82 | KDM3A (0.50) | — | |
| Hydrochloric Acid SCHEMBL10772341 | 0.82 | KDM3A (0.50) | — | |
| Hydrochloric Acid SCHEMBL6939511 | 0.82 | KDM3A (0.50) | — | |
| Hydrochloric Acid SCHEMBL10408499 | 0.82 | KDM3A (0.50) | — | |
| Hydrochloric Acid SCHEMBL11606703 | 0.82 | KDM3A (0.50) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61285284-A | — | — | None | — | — | JP | disclosed |
| EP-1868998-A2 | NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS | Insa Rouen (FR) | 2007-12-26 | — | — | EP | disclosed |
| WO-2006103120-A2 | NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS | INSA ROUEN (FR) | 2006-10-05 | — | — | WO | disclosed |
| EP-0612757-B1 | Ruthenium catalyzed process for preparation of beta-cyanoalkylsilanes | DOW CORNING (US) | 1999-07-21 | — | — | EP | disclosed |
| EP-0618210-A1 | Process for preparation of beta-cyanoalkylsilanes using ruthenium catalyst | DOW CORNING CORPORATION (US) | 1994-10-05 | — | — | EP | disclosed |
| EP-0612757-A1 | Ruthenium catalyzed process for preparation of beta-cyanoalkylsilanes | DOW CORNING CORPORATION (US) | 1994-08-31 | — | — | EP | disclosed |
| US-5312945-A | Process for preparation of β-cyanoalkylsilanes using ruthenium catalyst | DOW CORNING CORPORATION (US) | 1994-05-17 | — | — | US | disclosed |
| US-5248802-A | Hydro cyanation of olefinic nitriles | DOW CORNING CORPORATION (US) | 1993-09-28 | — | — | US | disclosed |
| JP-S61285284-A | CHEMICAL HEAT ACCUMULATION AND APPARATUS THEREFOR | HITACHI CHEM CO LTD | 1986-12-16 | — | — | JP | disclosed |