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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11193502 | 0.98 | NOS3 (0.40) | NOS3NOS1NOS2GAAMAPT | |
| Hydrochloric Acid SCHEMBL11191691 | 0.95 | NOS3 (0.38) | NOS3NOS1NOS2GAAMAPT | |
| SCHEMBL11177066 | 0.93 | NOS3 (0.41) | NOS3NOS1NOS2GAAMAPT | |
| Sulfuric Acid SCHEMBL11183838 | 0.90 | LMNA (0.39) | NOS3NOS1NOS2GAAMAPT | |
| Acetic Acid SCHEMBL11185263 | 0.89 | NOS3 (0.39) | NOS3NOS1NOS2GAAMAPT | |
| Acetic Acid SCHEMBL11190215 | 0.88 | NOS3 (0.40) | NOS3NOS1NOS2KMT2ATDP1 | |
| Acetic Acid SCHEMBL11185261 | 0.87 | NOS3 (0.39) | NOS3NOS1NOS2KMT2ATDP1 | |
| Acetic Acid SCHEMBL11189325 | 0.87 | NOS3 (0.39) | NOS3NOS1NOS2KMT2ATDP1 | |
| Acetic Acid SCHEMBL11189328 | 0.86 | NOS3 (0.39) | NOS3NOS1NOS2GAAMAPT | |
| Phosphonic Acid SCHEMBL11186399 | 0.83 | NOS3 (0.41) | NOS3NOS1NOS2GAAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4396617-A | FUNGICIDES | DUPHAR INTERNATIONAL B.V. (NL) | 1983-08-02 | — | — | US | claimed |
| EP-0001663-B1 | NOVEL 2-ARYLAMINO-HEXAHYDROPYRIMIDINES AND -IMIDAZOLIDINES, SALTS AND COMPLEXES THEREOF, METHOD OF PREPARING THE NOVEL COMPOUNDS AND FUNGICIDAL COMPOSITIONS WHICH CONTAIN THE NOVEL COMPOUNDS | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1982-05-12 | — | — | EP | claimed |
| EP-0001663-A1 | Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1979-05-02 | — | — | EP | claimed |
| US-4396617-A | FUNGICIDES | DUPHAR INTERNATIONAL B.V. (NL) | 1983-08-02 | — | — | US | disclosed |
| US-4374143-A | AS FUNGICIDES | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1983-02-15 | — | — | US | disclosed |
| EP-0001663-B1 | NOVEL 2-ARYLAMINO-HEXAHYDROPYRIMIDINES AND -IMIDAZOLIDINES, SALTS AND COMPLEXES THEREOF, METHOD OF PREPARING THE NOVEL COMPOUNDS AND FUNGICIDAL COMPOSITIONS WHICH CONTAIN THE NOVEL COMPOUNDS | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1982-05-12 | — | — | EP | disclosed |
| EP-0001663-A1 | Novel 2-arylamino-hexahydropyrimidines and -imidazolidines, salts and complexes thereof, method of preparing the novel compounds and fungicidal compositions which contain the novel compounds | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1979-05-02 | — | — | EP | disclosed |