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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 4/20 | 0.49 |
| ▸ | CHRM2 known ✓ | P08172 | 3/20 | 0.47 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.47 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.47 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 10/20 | 0.49 |
| ▸ | DRD4 | P21917 | 8/20 | 0.49 |
| ▸ | DRD3 | P35462 | 4/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 8/20 | 0.47 |
| ▸ | HRH1 | P35367 | 4/20 | 0.47 |
| ▸ | DRD1 | P21728 | 4/20 | 0.47 |
| ▸ | HRH2 | P25021 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 3/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.47 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL33323 | 0.98 | DRD2 (0.51) | DRD2DRD4CHRM1DRD3HRH4 | |
| SCHEMBL10108539 | 0.85 | HRH4 (0.44) | DRD2DRD4CHRM1DRD3HRH4 | |
| SCHEMBL18639828 | 0.85 | DRD2 (0.41) | DRD2DRD4CHRM1DRD3HRH4 | |
| SCHEMBL678149 | 0.85 | DRD2 (0.47) | DRD2DRD4CHRM1DRD3HRH4 | |
| SCHEMBL17471629 | 0.84 | HTR3E (0.44) | DRD2DRD4CHRM1DRD3HRH4 | |
| SCHEMBL11929339 | 0.81 | DRD2 (0.35) | DRD2DRD4CHRM1DRD3HRH4 | |
| SCHEMBL11929726 | 0.73 | DRD2 (0.47) | DRD2DRD4CHRM1DRD3HRH4 | |
| SCHEMBL21887284 | 0.71 | DRD2 (0.43) | DRD2DRD4CHRM1DRD3HRH4 | |
| SCHEMBL26598838 | 0.71 | DRD2 (0.43) | DRD2DRD4CHRM1DRD3HRH4 | |
| SCHEMBL11925296 | 0.70 | DRD2 (0.42) | DRD2DRD4CHRM1DRD3HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1329490-A | Composition and method for treating allergic diseases | SCHERING CORP (US) | 2002-01-02 | — | — | CN | disclosed |
| EP-1117405-A2 | COMPOSITION AND METHOD FOR TREATING ALLERGIC DISEASES | SCHERING CORPORATION (US) | 2001-07-25 | — | — | EP | disclosed |
| US-6103735-A | IN COMBINATION, ANTAGONISTS OF A NEUORKININ, A HISTAMINE 3 AND A HISTAMINE 1; ANTIALLERGENS; RHINITIS, ASTHMA AND RELATED DISORDERS; COUGH, WHEEZING; SNEEZING, ITCHING, RUNNY NOSE, NASAL CONGESTION, REDNESS OF THE EYE, TEARING | SCHERING CORPORATION (US) | 2000-08-15 | — | — | US | disclosed |
| WO-2000021512-A2 | COMPOSITION AND METHOD FOR TREATING ALLERGIC DISEASES | SCHERING CORPORATION (US) | 2000-04-20 | — | — | WO | disclosed |
| WO-1996029316-A1 | NEW SULFONE ESTER ANALOGUES OF iso-CLOZAPINE AND RELATED STRUCTURES: ATYPICAL NEUROLEPTICS | WIKSTROEM HAAKAN (NL) | 1996-09-26 | — | — | WO | disclosed |