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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.40 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL376956 | 0.96 | KMT2A (0.52) | KMT2ADPP4KCNA5KCNH2HIF1A | |
| Bromide SCHEMBL8464686 | 0.85 | HIF1A (0.48) | KMT2ADPP4KCNA5KCNH2HIF1A | |
| Bromide SCHEMBL1744199 | 0.84 | CYP2C19 (0.41) | KMT2ADPP4KCNA5KCNH2HIF1A | |
| Iodide SCHEMBL1497177 | 0.84 | CYP2C19 (0.41) | KMT2ADPP4KCNA5KCNH2HIF1A | |
| Hydrochloric Acid SCHEMBL9292231 | 0.83 | HIF1A (0.55) | KMT2AKCNA5KCNH2HIF1ASNCA | |
| Bromide SCHEMBL6178261 | 0.80 | KIF11 (0.46) | KMT2ADPP4HTR7ALDH1A1HSD17B10 | |
| Bromide SCHEMBL2446627 | 0.78 | HIF1A (0.55) | KMT2AHIF1ASNCASLC6A2SLC6A4 | |
| SCHEMBL9461073 | 0.77 | HIF1A (0.48) | KMT2ADPP4HIF1ASNCAFOLH1 | |
| Bromide SCHEMBL6179347 | 0.77 | AHR (0.41) | KMT2ASNCASLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL2450028 | 0.73 | HIF1A (0.44) | HIF1ACYP11B1CYP11B2SNCASLC6A2 |
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-0976748-B1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| US-6147100-A | ANTIINFLAMMATORY AGENTS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| EP-0976748-A1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2000-02-02 | — | — | EP | disclosed |