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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 SCHEMBL1582634 | 0.86 | TDP1 (0.41) | CYP3A4TDP1KDM4EESR1ESR2 | |
| SCHEMBL301134 | 0.86 | TDP1 (0.45) | CYP3A4TDP1KDM4EESR1ESR2 | |
| SCHEMBL4326950 | 0.84 | TDP1 (0.43) | CYP3A4TDP1ESR1ESR2 | |
| Bromide SCHEMBL28443974 | 0.84 | TDP1 (0.43) | CYP3A4TDP1KDM4EESR1ESR2 | |
| Bromide SCHEMBL29193727 | 0.84 | TDP1 (0.43) | CYP3A4TDP1KDM4EESR1ESR2 | |
| Iodide SCHEMBL1478204 | 0.84 | TDP1 (0.43) | CYP3A4TDP1KDM4EESR1ESR2 | |
| Bromide SCHEMBL1582391 | 0.81 | TDP1 (0.41) | CYP3A4TDP1KDM4EESR1ESR2 | |
| Ethane SCHEMBL3943018 | 0.81 | CYP3A4 (0.45) | CYP3A4TDP1KDM4EESR1ESR2 | |
| Hydrochloric Acid SCHEMBL5760985 | 0.78 | CYP3A4 (0.35) | CYP3A4TDP1ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL5659847 | 0.78 | CYP3A4 (0.40) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0828768-B1 | HOMOPOLYMERS AND COPOLYMERS OF CATIONICALLY POLYMERIZABLE MONOMERS AND METHOD OF THEIR PREPARATION | GOODRICH CO B F (US) | 2001-04-18 | — | — | EP | disclosed |
| EP-0828768-A1 | HOMOPOLYMERS AND COPOLYMERS OF CATIONICALLY POLYMERIZABLE MONOMERS AND METHOD OF THEIR PREPARATION | The B.F. Goodrich Company (US) | 1998-03-18 | — | — | EP | disclosed |
| US-5677405-A | COPOLYMER OF NORBORNENE-TYPE MONOMER WHICH UNDERGOES ADDITION POLYMERIZATION AND CATIONICALLY POLYMERIZABLE MONOMER | THE B.F. GOODRICH COMPANY (US) | 1997-10-14 | — | — | US | disclosed |
| WO-1996037529-A1 | HOMOPOLYMERS AND COPOLYMERS OF CATIONICALLY POLYMERIZABLE MONOMERS AND METHOD OF THEIR PREPARATION | THE B.F. GOODRICH COMPANY (US) | 1996-11-28 | — | — | WO | disclosed |
| EP-0353667-A1 | Bithienyl derivatives, process for their preparation, and compositions containing them | BASF Aktiengesellschaft (DE) | 1990-02-07 | — | — | EP | disclosed |