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 | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 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 | |
|---|---|---|---|---|
| SCHEMBL16469555 | 0.79 | LTA4H (0.57) | LTA4HTSHRTP53PLA2G4B | |
| Hydrochloric Acid SCHEMBL6702516 | 0.78 | CA4 (0.48) | LTA4HTDP1ALDH1A1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL29103166 | 0.78 | CA4 (0.48) | LTA4HTDP1ALDH1A1NPC1RAB9A | |
| SCHEMBL23152667 | 0.75 | CA1 (0.50) | LTA4HTDP1ALDH1A1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL29103161 | 0.74 | CA4 (0.48) | LTA4HTDP1ALDH1A1NPC1RAB9A | |
| SCHEMBL776579 | 0.73 | NPC1 (0.37) | ALDH1A1KDM4ENPC1RAB9ACA1 | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.73 | NQO1 (1.00) | NQO1LTA4HRELATSHRTDP1 | |
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.73 | NQO1 (1.00) | NQO1LTA4HRELATSHRTDP1 | |
| SCHEMBL16501185 | 0.73 | TP53 (0.52) | KMT2ATSHRTDP1ALDH1A1SMN1; SMN2 | |
| Phenetole SCHEMBL14953872 | 0.72 | LTA4H (0.74) | NQO1LTA4HRELATSHRTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0527521-B1 | A silver halide photographic material | AGFA GEVAERT NV (BE) | 1996-05-22 | — | — | EP | disclosed |
| EP-0527521-A1 | A silver halide photographic material | AGFA-GEVAERT N.V. (BE) | 1993-02-17 | — | — | EP | disclosed |