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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 3/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31229142 | 0.96 | CA12 (0.43) | CA12CA1CA9TSHRLMNA | |
| Hydrochloric Acid SCHEMBL28096848 | 0.93 | CA12 (0.48) | CA12CA1CA9TSHRLMNA | |
| SCHEMBL3904839 | 0.93 | TSHR (0.46) | CA12CA1CA9TSHRLMNA | |
| SCHEMBL27566038 | 0.93 | TSHR (0.46) | CA12CA1CA9TSHRLMNA | |
| SCHEMBL896 | 0.93 | TSHR (0.46) | CA12CA1CA9TSHRLMNA | |
| Hydrochloric Acid SCHEMBL6659390 | 0.90 | CA12 (0.40) | CA12CA1CA9TSHRLMNA | |
| Hydrochloric Acid SCHEMBL4653826 | 0.90 | CA12 (0.40) | CA12CA1CA9TSHRLMNA | |
| SCHEMBL1897739 | 0.89 | CA12 (0.43) | CA12CA1CA9TSHRLMNA | |
| Iodide SCHEMBL328995 | 0.89 | CA12 (0.43) | CA12CA1CA9TSHRLMNA | |
| Ethane SCHEMBL4431820 | 0.89 | CA12 (0.43) | CA12CA1CA9TSHRLMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1643547-B1 | Preparation of group 12 and 13 metal compounds having low levels of oxygenated impurities | ROHM & HAAS ELECT MAT (US) | 2008-11-05 | — | — | EP | disclosed |
| CN-100358903-C | Method | ROHM & HAAS ELECT MAT (US) | 2008-01-02 | — | — | CN | disclosed |
| US-7166734-B2 | Method for making organometallic compounds | ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) | 2007-01-23 | — | — | US | disclosed |
| EP-1643547-A1 | Preparation of group 12 and 13 metal compounds having low levels of oxygenated impurities | Rohm and Haas Electronic Materials, L.L.C. (US) | 2006-04-05 | — | — | EP | disclosed |
| CN-1746173-A | Method | ROHM & HAAS ELECT MAT (US) | 2006-03-15 | — | — | CN | disclosed |
| US-20060047132-A1 | Method | ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) | 2006-03-02 | — | — | US | disclosed |