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.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 SCHEMBL1582634 | 0.86 | TDP1 (0.41) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL301134 | 0.86 | TDP1 (0.45) | CYP3A4TDP1ESR1ESR2 | |
| Bromide SCHEMBL29193727 | 0.84 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL4326950 | 0.84 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| Iodide SCHEMBL1478204 | 0.84 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| Bromide SCHEMBL28443974 | 0.84 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| Bromide SCHEMBL1582391 | 0.81 | TDP1 (0.41) | CYP3A4TDP1ESR1ESR2 | |
| Ethane SCHEMBL3946960 | 0.81 | CYP3A4 (0.53) | CYP3A4TDP1ESR1ESR2 | |
| Benzonitrile SCHEMBL8353241 | 0.79 | TSHR (0.41) | — | |
| Hydrochloric Acid SCHEMBL5760985 | 0.78 | CYP3A4 (0.35) | CYP3A4TDP1ESR1ESR2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7282494-B2 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2007-10-16 | — | — | US | disclosed |
| US-7064118-B2 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2006-06-20 | — | — | US | disclosed |
| US-20060100192-A1 | Heteroaryl diazacycloalkanes, their preparation and use | DANPET AB (SE) | 2006-05-11 | — | — | US | disclosed |
| US-6897219-B2 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2005-05-24 | — | — | US | disclosed |
| US-6825189-B1 | TREATING WITHDRAWAL SYMPTOMS CAUSED BY SMOKING CESSATION | NEUROSEARCH A/S (DK) | 2004-11-30 | — | — | US | disclosed |
| EP-1027336-B1 | HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH AS (DK) | 2004-10-06 | — | — | EP | disclosed |
| US-20040072823-A1 | Heteroaryl diazacycloalkanes, their preparation and use; | NEUROSEARCH A/S | 2004-04-15 | — | — | US | disclosed |
| US-20020045618-A1 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2002-04-18 | — | — | US | disclosed |
| EP-1027336-A1 | HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH A/S (DK) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999021834-A1 | HETEROARYL DIAZACYCLOALKANES AS CHOLINERGIC LIGANDS AT NICOTINIC ACETYLCHOLINE RECEPTORS | NEUROSEARCH A/S (DK) | 1999-05-06 | — | — | WO | disclosed |
| EP-0728734-B1 | Process for the preparation of aromatic amines | HOECHST AG (DE) | 1998-09-09 | — | — | EP | disclosed |
| US-5744643-A | REACTING AN AROMATIC NITRO COMPOUND WITH CARBON MONOXIDE IN A AN AQUEOUS SOLVENT MIXTURE A WATER-SOLUBLE PALLADIUM SALT HYDROGENATION CATALYST SUPPORTED BY A WATER-SOLUBLE PHOSPHINE | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-04-28 | — | — | US | disclosed |
| EP-0728734-A1 | Process for the preparation of aromatic amines | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-08-28 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020045618-A1 | Heteroaryl diazacycloalkanes, their preparation and use | CHRNA5, CHRNA7, CHRNA3 | CYP3A4 546/4885TDP1 1549/4885ESR1 1641/4885 |
| US-20060100192-A1 | Heteroaryl diazacycloalkanes, their preparation and use | CHRNA5, CHRNA7, CHRNA3 | CYP3A4 554/4885TDP1 1585/4885ESR1 1726/4885 |
| US-20040072823-A1 | Heteroaryl diazacycloalkanes, their preparation and use; | OGFR, CBR3, OGFRL1 | CYP3A4 346/4885TDP1 4366/4885ESR1 2555/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.