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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.50 |
| ▸ | TACR1 known ✓ | P25103 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5390546 | 0.98 | KDM4E (0.59) | KDM4EPOLBTSHRSLC6A2TAAR1 | |
| SCHEMBL6531372 | 0.96 | KDM4E (0.61) | KDM4EPOLBTSHRSLC6A2TAAR1 | |
| Hydrochloric Acid SCHEMBL5221460 | 0.94 | KDM4E (0.59) | KDM4EPOLBTSHRSLC6A2TAAR1 | |
| SCHEMBL29108931 | 0.84 | KDM4E (0.61) | KDM4EPOLBTSHRSLC6A2TAAR1 | |
| SCHEMBL14304175 | 0.81 | KDM4E (0.54) | KDM4EPOLBTSHRSLC6A2TAAR1 | |
| SCHEMBL21408338 | 0.79 | KDM4E (0.78) | KDM4EPOLBTSHRSLC6A2TAAR1 | |
| SCHEMBL1691827 | 0.79 | TSHR (0.61) | KDM4EPOLBTSHRSLC6A2TAAR1 | |
| SCHEMBL15663590 | 0.79 | KDM4E (0.56) | KDM4EPOLBTSHRSLC6A2TAAR1 | |
| SCHEMBL7552755 | 0.79 | CHRM2 (0.46) | — | |
| SCHEMBL6043011 | 0.78 | TSHR (0.58) | KDM4EPOLBTSHRSLC6A2TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567488-B1 | HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE | GLAXO GROUP LTD (GB) | 2007-02-21 | — | — | EP | disclosed |
| EP-1567488-A1 | HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE | GLAXO GROUP LIMITED (GB) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004050619-A1 | HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE | GLAXO GROUP LIMITED (GB) | 2004-06-17 | — | — | WO | disclosed |