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 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL565173 | 0.98 | ALDH1A1 (0.45) | ALDH1A1KDM4ETDP1LMNAPOLB | |
| SCHEMBL22129821 | 0.91 | ALDH1A1 (0.39) | ALDH1A1KDM4ETDP1LMNAPOLB | |
| SCHEMBL21747532 | 0.91 | ALDH1A1 (0.39) | ALDH1A1KDM4ETDP1LMNAPOLB | |
| SCHEMBL564455 | 0.90 | ALDH1A1 (0.50) | ALDH1A1KDM4ETDP1LMNAPOLB | |
| SCHEMBL14948335 | 0.88 | CYP2C19 (0.43) | ALDH1A1KDM4ETDP1LMNAPOLB | |
| Hydrochloric Acid SCHEMBL1559083 | 0.87 | KDM4E (0.62) | ALDH1A1KDM4ETDP1ACHEAPOBEC3A | |
| SCHEMBL26948991 | 0.87 | IDO1 (0.42) | ALDH1A1KDM4ETDP1ACHESMN1; SMN2 | |
| Fluoride Ion SCHEMBL4072236 | 0.86 | ALDH1A1 (0.47) | ALDH1A1KDM4ETDP1LMNAPOLB | |
| SCHEMBL565108 | 0.85 | KDM4E (0.58) | ALDH1A1KDM4ETDP1ACHEAPOBEC3A | |
| Iodide SCHEMBL22188504 | 0.83 | KDM4E (0.56) | ALDH1A1KDM4ETDP1ACHEAPOBEC3A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0791575-A1 | Method of synthesis of a quaternary ammonium salt | NIPPON PAINT CO., LTD. (JP) | 1997-08-27 | — | — | EP | disclosed |