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 | 3/20 | 0.39 |
| ▸ | CHRM3 known ✓ | P20309 | 3/20 | 0.39 |
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4252733 | 0.97 | — | — | |
| Choline SCHEMBL516453 | 0.78 | CYP3A4 (0.72) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL28308438 | 0.78 | CYP3A4 (0.72) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL28248281 | 0.76 | CYP3A4 (0.68) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL4728224 | 0.76 | CYP3A4 (0.46) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL28036788 | 0.76 | CYP3A4 (0.68) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL15993921 | 0.76 | CYP3A4 (0.68) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL16106188 | 0.76 | CYP3A4 (0.68) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| Choline SCHEMBL4211637 | 0.76 | CYP3A4 (0.68) | CYP3A4SLC5A7LMNAMEN1KMT2A | |
| SCHEMBL8679788 | 0.75 | TDP1 (0.36) | CYP3A4SLC5A7LMNAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20120028855-A1 | SHALE HYDRATION INHIBITION AGENT(S) AND METHOD OF USE | SHRIEVE CHEMICAL PRODUCTS (US) | 2012-02-02 | — | — | US | disclosed |
| US-8022014-B2 | Deep eutectic solvents and applications | SHRIEVE CHEMICAL PRODUCTS, INC. | 2011-09-20 | — | — | US | disclosed |
| US-20110207633-A1 | DEEP EUTECTIC SOLVENTS AND APPLICATIONS | SHRIEVE CHEMICAL PRODUCTS, INC. (US) | 2011-08-25 | — | — | US | disclosed |
| US-20090247432-A1 | DEEP EUTECTIC SOLVENTS AND APPLICATIONS | SHRIEVE CHEMICAL PRODUCTS, INC. (US) | 2009-10-01 | — | — | US | disclosed |
| WO-2009120839-A2 | DEEP EUTECTIC SOLVENTS AND APPLICATIONS | SHRIEVE CHEMICAL PRODUCTS, INC. (US) | 2009-10-01 | — | — | WO | disclosed |