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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
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 SCHEMBL679058 | 0.86 | TDP1 (0.41) | CYP3A4TDP1TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL10518666 | 0.86 | TDP1 (0.41) | CYP3A4TDP1TP53ESR1ESR2 | |
| Propane SCHEMBL5194963 | 0.86 | TDP1 (0.41) | CYP3A4TDP1TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL28618359 | 0.86 | TDP1 (0.41) | CYP3A4TDP1TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL30528109 | 0.86 | TDP1 (0.41) | CYP3A4TDP1TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL18241085 | 0.86 | TDP1 (0.41) | CYP3A4TDP1TP53ESR1ESR2 | |
| SCHEMBL34614 | 0.86 | CYP3A4 (0.45) | CYP3A4TDP1TP53ESR1ESR2 | |
| Ammonia Solution, Strong SCHEMBL15124087 | 0.84 | CYP3A4 (0.43) | CYP3A4TDP1TP53ESR1ESR2 | |
| SCHEMBL3749691 | 0.84 | CYP3A4 (0.43) | CYP3A4TDP1TP53ESR1ESR2 | |
| Hydrogen Sulfide SCHEMBL8154468 | 0.84 | TDP1 (0.43) | CYP3A4TDP1TP53ESR1ESR2 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1846472-B1 | PROCESS OF PREPARING REGIOREGULAR POLYMERS | MERCK PATENT GMBH (DE) | 2011-03-23 | — | — | EP | claimed |
| EP-1654298-B1 | PROCESS OF PREPARING REGIOREGULAR POLYMERS | MERCK PATENT GMBH (DE) | 2008-10-01 | — | — | EP | claimed |
| EP-1028136-B1 | A method of forming poly-(3-substituted) thiophenes | UNIV CARNEGIE MELLON (US) | 2006-05-24 | — | — | EP | claimed |
| EP-1690847-B1 | pi-conjugated compound having cardo structure, process for the preparation thereof and use thereof | TOSOH CORP (JP) | 2016-06-22 | — | — | EP | disclosed |
| US-8653227-B2 | Process for preparing regioregular poly-(3-substituted) thiophenes, selenophenes, thiazoles and selenazoles | BASF SE (DE) | 2014-02-18 | — | — | US | disclosed |
| EP-2443167-B1 | PROCESS FOR PREPARING REGIOREGULAR POLY-(3-SUBSTITUTED) THIOPHENES, SELENOPHENES, THIA- ZOLES AND SELENAZOLES | BASF SE (DE) | 2013-05-29 | — | — | EP | disclosed |
| US-8431682-B2 | Regioregular polyselenophenes | MERCK PATENT GMBH (DE) | 2013-04-30 | — | — | US | disclosed |
| US-8329722-B2 | Inhibitors of janus kinases and/or 3-phosphoinositide-dependent protein kinase-1 | MERCK SHARP & DOHME CORP. (US) | 2012-12-11 | — | — | US | disclosed |
| US-20120088900-A1 | PROCESS FOR PREPARING REGIOREGULAR POLY-(3-SUBSTITUTED) THIOPHENES, SELENOPHENES, THIAZOLES AND SELENAZOLES | RIEKE METALS, INC. (US) | 2012-04-12 | — | — | US | disclosed |
| EP-2134346-B1 | INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 | MERCK SHARP & DOHME (US) | 2011-09-21 | — | — | EP | disclosed |
| EP-1951787-B1 | REGIOREGULAR POLYSELENOPHENES | MERCK PATENT GMBH (DE) | 2011-02-23 | — | — | EP | disclosed |
| US-20060186797-A1 | Pi-conjugated compound having cardo structure, process for preparing same and use of same | TOSOH CORPORATION (JP) | 2006-08-24 | — | — | US | disclosed |
| EP-1690847-A1 | pi-Conjugated compound having cardo structure, process for the preparation thereof and use thereof | Tosoh Corporation (JP) | 2006-08-16 | — | — | EP | disclosed |
| EP-0826684-A1 | PIPERIDINE DERIVATIVES | Hisamitsu Pharmaceutical Co., Inc. (JP) | 1998-03-04 | — | — | EP | disclosed |
| EP-0481405-B1 | Pyrimidin derivatives, process for their préparation, agents containing them and their use as fungicides | HOECHST SCHERING AGREVO GMBH (DE) | 1997-06-11 | — | — | EP | disclosed |
| EP-0500755-B1 | PYRIDINE DERIVATIVES, PROCESS FOR MAKING THEM, AGENTS CONTAINING THEM AND THEIR USE AS FUNGICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1996-05-15 | — | — | EP | disclosed |
| EP-0481405-A1 | Pyrimidin derivatives, process for their préparation, agents containing them and their use as fungicides | Hoechst Schering AgrEvo GmbH (DE) | 1992-04-22 | — | — | EP | disclosed |
| US-5032451-A | Toughness | SHELL OIL COMPANY (US) | 1991-07-16 | — | — | US | disclosed |
| EP-0400749-A1 | Bisbenzocyclobutene/bisimide compositions | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-12-05 | — | — | EP | disclosed |
| US-4973636-A | THERMOSETTING RESINS, TOUGHNESS, LAMINATION, HIGH GLASS TRANSITION TEMPERATURE | SHELL OIL COMPANY (US) | 1990-11-27 | — | — | US | 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 (1 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-20060186797-A1 | Pi-conjugated compound having cardo structure, process for preparing same and use of same | ARL1, TERB1, LEO1 | CYP3A4 507/4885TDP1 2751/4885TP53 3084/4885 |
“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.