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 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL30259683 | 0.80 | MEN1 (0.61) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL257336 | 0.77 | KMT2A (0.69) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL13078172 | 0.77 | MEN1 (0.47) | MEN1TP53CYP1A2CYP2D6MAPT | |
| Bromide SCHEMBL14656035 | 0.75 | KMT2A (0.67) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL256682 | 0.75 | KMT2A (0.80) | MEN1TP53CYP1A2CYP2D6MAPT | |
| Bromide SCHEMBL6549808 | 0.75 | BCHE (0.67) | BCHEACHE | |
| Bromide SCHEMBL8072820 | 0.75 | BCHE (0.67) | BCHEACHE | |
| Biphenyl SCHEMBL16613189 | 0.73 | KMT2A (0.64) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL9967750 | 0.73 | MEN1 (0.48) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL4230954 | 0.72 | CHRNA7 (0.55) | MEN1TP53CYP1A2CYP2D6MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5888694-A | MATERIAL CONTAINING COMPOUND HAVING ADSORPTION ACCELERATING GROUP AND QUATERNIZED NITROGEN-CONTAINING HETEROCYCLIC RING;FORMING HIGH CONTRAST IMAGES | FUJI PHOTO FILM CO., LTD. (JP) | 1999-03-30 | — | — | US | disclosed |