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 | |
|---|---|---|---|---|
| SCHEMBL27868425 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL11599433 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9344372 | 0.69 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7775666 | 0.67 | ABCB11 (0.31) | — | |
| Hydrochloric Acid SCHEMBL11599444 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL13492136 | 0.65 | — | — | |
| Propane SCHEMBL27523266 | 0.61 | — | — | |
| Alcohol SCHEMBL28488370 | 0.57 | — | — | |
| Alcohol SCHEMBL28092781 | 0.57 | — | — | |
| SCHEMBL9657 | 0.54 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0574174-B1 | Angiotensin II antagonists | LILLY CO ELI (US) | 2003-08-13 | — | — | EP | disclosed |
| US-5693633-A | Angiotensin II antagonists | ELI LILLY AND COMPANY (US) | 1997-12-02 | — | — | US | disclosed |
| US-5612360-A | AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS | ELI LILLY AND COMPANY (US) | 1997-03-18 | — | — | US | disclosed |
| US-5569768-A | USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY | ELI LILLY AND COMPANY (US) | 1996-10-29 | — | — | US | disclosed |
| EP-0574174-A2 | Angiotensin II antagonists | ELI LILLY AND COMPANY (US) | 1993-12-15 | — | — | EP | disclosed |
| US-4101571-A | REACTING SULFAMIC ACIDS WITH PHOSGENE | BASF AKTIENGESELLSCHAFT (DE) | 1978-07-18 | — | — | US | disclosed |
| US-4075001-A | 3-Aminoisothiazole derivatives as herbicides | FMC CORPORATION (US) | 1978-02-21 | — | — | US | disclosed |