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 | |
|---|---|---|---|---|
| ▸ | SLC10A2 known ✓ | Q12908 | 1/20 | 0.39 |
| ▸ | WHR1 | P49842 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ACACA | Q13085 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | GUSB | P08236 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 3/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | NTSR1 | P30989 | 2/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8885954 | 0.78 | WHR1 (0.50) | WHR1L3MBTL1ACACAABCG2SMN1; SMN2 | |
| SCHEMBL8885068 | 0.78 | WHR1 (0.50) | WHR1L3MBTL1ACACAKDM4EALDH1A1 | |
| SCHEMBL7819852 | 0.78 | WHR1 (0.48) | WHR1L3MBTL1ACACAKDM4EALDH1A1 | |
| SCHEMBL8884353 | 0.77 | WHR1 (0.49) | WHR1L3MBTL1ACACAKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8139103 | 0.76 | WHR1 (0.46) | WHR1L3MBTL1ACACAKDM4EALDH1A1 | |
| SCHEMBL7825968 | 0.76 | WHR1 (0.46) | WHR1L3MBTL1ACACAKDM4EALDH1A1 | |
| SCHEMBL7820197 | 0.76 | PDE4A (0.48) | WHR1L3MBTL1ACACAKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8492563 | 0.74 | WHR1 (0.54) | WHR1L3MBTL1ACACAKDM4EALDH1A1 | |
| SCHEMBL8884921 | 0.74 | KDM4E (0.48) | WHR1L3MBTL1KDM4EALDH1A1HPGD | |
| SCHEMBL27767946 | 0.73 | L3MBTL1 (0.58) | L3MBTL1ACACAKDM4EALDH1A1NPC1 |
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-0634169-B1 | Quinoline or quinazoline derivatives and their use in the manufacture of a medicament for the treatment of osteoporosis | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2000-01-05 | — | — | EP | disclosed |
| EP-0634169-A1 | Pharmaceutical composition containing quinoline or quinazoline derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-01-18 | — | — | EP | disclosed |
| EP-0567107-A1 | Quinoline and quinazoline derivatives for treating arthritis | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-10-27 | — | — | EP | disclosed |