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 | |
|---|---|---|---|---|
| SCHEMBL4021598 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL9170334 | 0.90 | — | — | |
| SCHEMBL21044920 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL29236432 | 0.84 | PTPN1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7565030 | 0.84 | PTPN1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL31343968 | 0.79 | PTPN1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL27739922 | 0.79 | PTPN1 (0.30) | — | |
| SCHEMBL407583 | 0.78 | — | — | |
| SCHEMBL30661142 | 0.78 | PTPN1 (0.32) | — | |
| SCHEMBL15533446 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5420320-A | Method for preparing cyclopentadienyl-type ligands and metallocene compounds | PHILLIPS PETROLEUM COMPANY (US) | 1995-05-30 | — | — | US | disclosed |