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 | 5/20 | 0.36 |
| ▸ | CHRM3 known ✓ | P20309 | 5/20 | 0.36 |
| ▸ | CHRM2 known ✓ | P08172 | 4/20 | 0.36 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 6/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2852122 | 0.83 | TSHR (0.54) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL11674208 | 0.82 | TSHR (0.58) | MAPTTSHRHPGDALDH1A1TP53 | |
| Acrylic Acid Ethyl Ester SCHEMBL251480 | 0.81 | ALDH1A1 (0.37) | MAPTTSHRHPGDALDH1A1TP53 | |
| SCHEMBL908782 | 0.81 | TSHR (0.36) | CHRM5CHRM1CHRM3CHRM2CHRM4 | |
| SCHEMBL2196152 | 0.80 | TSHR (0.51) | MAPTTSHRHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL3089075 | 0.79 | CHRM2 (0.37) | CHRM5CHRM1CHRM3CHRM2CHRM4 | |
| SCHEMBL28770620 | 0.78 | TSHR (0.32) | TSHRHPGDALDH1A1TP53HIF1A | |
| SCHEMBL8734435 | 0.78 | TSHR (0.55) | MAPTTSHRHPGDALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL134541 | 0.78 | CHRM5 (0.57) | CHRM5CHRM1CHRM3MAPTBLM | |
| SCHEMBL10579992 | 0.77 | TSHR (0.44) | TSHRHPGDALDH1A1TP53HIF1A |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4805939-B2 | — | — | 2011-11-02 | — | — | JP | claimed |
| EP-1793916-B1 | COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS | UNIV MCMASTER (CA) | 2010-11-24 | — | — | EP | claimed |
| EP-1793916-A4 | COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS | UNIV MCMASTER (CA) | 2008-05-14 | — | — | EP | claimed |
| EP-1793916-A1 | COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS | McMaster University (CA) | 2007-06-13 | — | — | EP | claimed |
| US-20060121217-A1 | Composite material comprising layered hydrophilic coatings | MCMASTER UNIVERSITY | 2006-06-08 | — | — | US | claimed |
| WO-2006034575-A1 | COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS | MCMASTER UNIVERSITY (CA) | 2006-04-06 | — | — | WO | claimed |
| US-7883767-B2 | two or more consecutive pore-coating layers to a porous support to achieve very hydrophilic composite materials; 1st gel polymer layer having both hydrophobic and hydrophilic properties, second polymer layer which durably coats the surface of the first polymer layer being more hydrophilic than first | MCMASTER UNIVERSITY (CA) | 2011-02-08 | — | — | US | disclosed |
| EP-1793916-B1 | COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS | UNIV MCMASTER (CA) | 2010-11-24 | — | — | EP | disclosed |
| EP-1793916-A4 | COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS | UNIV MCMASTER (CA) | 2008-05-14 | — | — | EP | disclosed |
| EP-1793916-A1 | COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS | McMaster University (CA) | 2007-06-13 | — | — | EP | disclosed |
| US-20060121217-A1 | Composite material comprising layered hydrophilic coatings | MCMASTER UNIVERSITY | 2006-06-08 | — | — | US | disclosed |
| WO-2006034575-A1 | COMPOSITE MATERIAL COMPRISING LAYERED HYDROPHILIC COATINGS | MCMASTER UNIVERSITY (CA) | 2006-04-06 | — | — | WO | disclosed |