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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | PARP1 | P09874 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | PARP10 | Q53GL7 | 5/20 | 0.46 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.46 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NNMT | P40261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13343252 | 0.98 | POLB (0.60) | POLBMAPTL3MBTL1CYP3A4PARP1 | |
| Hydrochloric Acid SCHEMBL3530738 | 0.96 | POLB (0.58) | POLBMAPTL3MBTL1CYP3A4PARP1 | |
| Hydrochloric Acid SCHEMBL9027856 | 0.84 | PARP1 (0.52) | POLBMAPTL3MBTL1CYP3A4PARP1 | |
| SCHEMBL126404 | 0.81 | TSHR (0.56) | TSHRALDH1A1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL30057348 | 0.79 | NNMT (0.53) | POLBMAPTL3MBTL1CYP3A4PARP1 | |
| SCHEMBL25583322 | 0.79 | ALDH1A1 (0.61) | MAPTL3MBTL1TSHRTDP1ALDH1A1 | |
| SCHEMBL13381663 | 0.77 | NNMT (0.55) | POLBMAPTL3MBTL1CYP3A4PARP1 | |
| Hydrochloric Acid SCHEMBL8131656 | 0.77 | PARP10 (0.65) | PARP1PARP10ALDH1A1MKNK1MKNK2 | |
| Benzamide SCHEMBL8632915 | 0.75 | PARP1 (0.89) | POLBMAPTL3MBTL1CYP3A4PARP1 | |
| Benzamide SCHEMBL3870712 | 0.75 | PARP1 (0.89) | POLBMAPTL3MBTL1CYP3A4PARP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0717739-B1 | 1,4-Benzodioxane derivatives having affinity for D2 receptors and utility in the treatment of psychoses | KNOLL AG (DE) | 2000-03-29 | — | — | EP | disclosed |
| US-5767116-A | TREATING PSYCHOSES | KNOLL ATKIENGESELLSCHAFT (DE) | 1998-06-16 | — | — | US | disclosed |
| EP-0717739-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1996-06-26 | — | — | EP | disclosed |
| WO-1995007274-A1 | BICYCLIC AROMATIC COMPOUNDS AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1995-03-16 | — | — | WO | disclosed |