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 | |
|---|---|---|---|---|
| ▸ | WHR1 | P49842 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ACACA | Q13085 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.40 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8495677 | 0.74 | SLC10A2 (0.50) | SMN1; SMN2MAPTALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8131298 | 0.74 | WHR1 (0.49) | WHR1L3MBTL1ACACAABCG2SMN1; SMN2 | |
| SCHEMBL22144590 | 0.71 | WHR1 (1.00) | WHR1L3MBTL1ABCG2SMN1; SMN2MAPT | |
| Diphenylamine SCHEMBL8885083 | 0.68 | ABCG2 (0.55) | WHR1L3MBTL1ABCG2SMN1; SMN2TP53 | |
| Bromide SCHEMBL8684175 | 0.68 | PDE4A (0.51) | — | |
| Hydrochloric Acid SCHEMBL7365458 | 0.68 | PDE4A (0.51) | — | |
| SCHEMBL326797 | 0.67 | ABCG2 (0.57) | WHR1L3MBTL1ACACAABCG2SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8492560 | 0.67 | WHR1 (0.51) | WHR1L3MBTL1ACACAABCG2SMN1; SMN2 | |
| SCHEMBL8885068 | 0.66 | WHR1 (0.50) | WHR1L3MBTL1ACACAABCG2SMN1; SMN2 | |
| SCHEMBL8492556 | 0.66 | L3MBTL1 (0.50) | WHR1L3MBTL1ACACAABCG2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5948782-A | ANTIINFLAMMATORY AGENT; RHEUMATIC DISEASES | TAKEDA CHEMICAL (JP) | 1999-09-07 | — | — | US | disclosed |
| US-5852039-A | Pharmaceutical composition containing quinoline or quinazoline derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-12-22 | — | — | US | disclosed |
| US-5719157-A | OSTEOPOROSIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-17 | — | — | US | disclosed |