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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.86 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.86 |
| ▸ | ESR1 | P03372 | 4/20 | 0.60 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 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 SCHEMBL11675266 | 1.00 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL2120376 | 1.00 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL62978 | 1.00 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL6939763 | 0.97 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Ammonia Solution, Strong SCHEMBL6935288 | 0.97 | TDP1 (0.80) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL11863762 | 0.93 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL5915259 | 0.93 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Iodide SCHEMBL11676491 | 0.93 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL11072538 | 0.93 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E | |
| Hydrochloric Acid SCHEMBL8875 | 0.93 | TDP1 (0.86) | TDP1CYP3A4ESR1ESR2KDM4E |
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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118496122-A | N-aryl substituent ligand compound containing large steric hindrance, preparation method thereof, nickel catalyst, preparation method thereof and application thereof | 合肥中科科乐新材料有限责任公司 | 2024-08-16 | — | — | CN | claimed |
| CN-117069747-A | Method for synthesizing N-heterocyclic carbene complex by utilizing hydrolysate of imidazole salt | 石河子大学 | 2023-11-17 | — | — | CN | claimed |
| CN-115448941-A | Preparation method of allyl substituted aryl organosilicon compound | 青海师范大学 | 2022-12-09 | — | — | CN | claimed |
| CN-114716466-A | Method for preparing chiral alpha-amino boric acid/boric acid ester through nickel-catalyzed asymmetric hydroamidation | 南京大学 | 2022-07-08 | — | — | CN | claimed |
| CN-108929392-B | A kind of silicon substrate two-photon initiator and preparation method thereof | 江南大学 | 2019-09-03 | — | — | CN | claimed |
| CN-109970885-A | A kind of long conjugation carbazyl oxime ester photoinitiator and preparation method thereof | 江南大学 | 2019-07-05 | — | — | CN | claimed |
| CN-109705168-A | A kind of double-core nickel coordination compound and the preparation method and application thereof | 云南师范大学 | 2019-05-03 | — | — | CN | claimed |
| CN-106938985-A | A kind of 5 amide groups quinolines of alkenyl 8 and its one-pot preparation thereof | 湖南大学 | 2017-07-11 | — | — | CN | claimed |
| CN-106496055-A | A kind of key component sand storehouse of anti-heart failure new drug is than bent novel synthesis | 杭州科巢生物科技有限公司 | 2017-03-15 | — | — | CN | claimed |
| CN-118294564-A | Method for measuring purity of tetra (triphenylphosphine) complex | 福州大学 | 2024-07-05 | — | — | CN | disclosed |
| CN-117510291-A | Preparation method of acrylamide compound | 昆明理工大学 | 2024-02-06 | — | — | CN | disclosed |
| CN-114437028-B | Method for generating N-substituted phthalimide compound by nickel-catalyzed carbonylation reaction | 桂林理工大学 | 2023-11-17 | — | — | CN | disclosed |
| CN-115448941-A | Preparation method of allyl substituted aryl organosilicon compound | 青海师范大学 | 2022-12-09 | — | — | CN | disclosed |
| CN-114437028-A | Method for generating N-substituted phthalimide compound through nickel-catalyzed carbonylation reaction | 桂林理工大学 | 2022-05-06 | — | — | CN | disclosed |
| US-5596106-A | ARYL-BENZO(B)THIOPHENE OR BENZO(B)FURAN COMPOUNDS | ELI LILLY AND COMPANY (US) | 1997-01-21 | — | — | US | disclosed |
| WO-1996039374-A1 | 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN (US) | 1996-12-12 | — | — | WO | disclosed |
| WO-1996002248-A1 | CANNABINOID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1996-02-01 | — | — | WO | disclosed |
| WO-1994024717-A1 | SULFONATED POLYMERS FOR SOLID POLYMER ELECTROLYTES | MAXDEM INCORPORATED (US) | 1994-10-27 | — | — | WO | disclosed |
| US-4012399-A | ULTRAVIOLET LIGHT ABSORBERS AND STABILIZERS | CINCINNATI MILACRON CHEMICALS, INC. (US) | 1977-03-15 | — | — | US | disclosed |
| US-3959220-A | Polymer additives comprising transition metal complexes with trivalent phosphorous compounds | CINCINNATI MILACRON CHEMICALS, INC. (US) | 1976-05-25 | — | — | US | disclosed |