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 | 1/20 | 0.41 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.41 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.42 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.42 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL706384 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL27970268 | 0.93 | GPR84 (0.52) | CA2MAPK1GPR84FFAR1SLC1A2 | |
| Ammonia Solution, Strong SCHEMBL28086994 | 0.93 | CA2 (0.52) | CA2MAPK1GPR84FFAR1SLC1A2 | |
| SCHEMBL27970527 | 0.93 | CA2 (0.52) | CA2MAPK1GPR84FFAR1SLC1A2 | |
| SCHEMBL28064147 | 0.93 | CA2 (0.52) | CA2MAPK1GPR84FFAR1SLC1A2 | |
| SCHEMBL20448523 | 0.88 | GPR84 (0.56) | CA2MAPK1GPR84FFAR1SLC1A2 | |
| SCHEMBL29868538 | 0.86 | GPR84 (0.59) | CA2GPR84FFAR1SLC1A2SLC1A1 | |
| SCHEMBL6828481 | 0.86 | GPR84 (0.59) | CA2GPR84FFAR1SLC1A2SLC1A1 | |
| SCHEMBL28686565 | 0.86 | GPR84 (0.59) | CA2GPR84FFAR1SLC1A2SLC1A1 | |
| SCHEMBL464921 | 0.86 | GPR84 (0.59) | CA2GPR84FFAR1SLC1A2SLC1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103910740-B | Tetrandrine derivant and preparation method thereof and the application in prepared by antitumor drug | 山东师范大学 | 2016-07-06 | — | — | CN | claimed |
| CN-103910740-B | Tetrandrine derivant and preparation method thereof and the application in prepared by antitumor drug | 山东师范大学 | 2016-07-06 | — | — | CN | disclosed |