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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 2/20 | 0.50 |
| ▸ | CHRM1 known ✓ | P11229 | 2/20 | 0.50 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.50 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.50 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.50 |
| ▸ | BDKRB2 known ✓ | P30411 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | APAF1 | O14727 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | FYN | P06241 | 2/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.50 |
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 SCHEMBL8381165 | 0.90 | ALDH1A1 (0.49) | KCNH2ALDH1A1TDP1SMN1; SMN2HTT | |
| SCHEMBL8381006 | 0.77 | MAOB (0.53) | KCNH2SMN1; SMN2KIF11LTA4H | |
| SCHEMBL8383387 | 0.77 | LTA4H (0.41) | KCNH2SMN1; SMN2MEN1CHRM3KMT2A | |
| SCHEMBL8381114 | 0.75 | LTA4H (0.50) | KCNH2SMN1; SMN2HTR2AKIF11LTA4H | |
| Hydrochloric Acid SCHEMBL8385020 | 0.74 | F2 (0.46) | KCNH2ALDH1A1SMN1; SMN2MEN1LMNA | |
| Hydrochloric Acid SCHEMBL28854492 | 0.74 | ALDH1A1 (0.68) | KCNH2ALDH1A1TDP1SMN1; SMN2HTT | |
| SCHEMBL8385005 | 0.74 | LTB4R (0.49) | ALDH1A1HTTLMNATSHRNR3C1 | |
| Bephenium SCHEMBL9118297 | 0.73 | HTT (0.58) | KCNH2ALDH1A1TDP1SMN1; SMN2HTT | |
| SCHEMBL8381057 | 0.73 | LMNA (0.52) | ALDH1A1SMN1; SMN2LMNASLC6A2SLC6A3 | |
| SCHEMBL8381308 | 0.73 | SMN1; SMN2 (0.42) | KCNH2ALDH1A1SMN1; SMN2HTTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997048676-A1 | TRIPHENYLALKYL ANTIMICROBIAL AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-12-24 | — | — | WO | claimed |
| US-5874436-A | EFFECTIVE IN INHIBITING THE ACTION OF A BACTERIAL HISTIDINE PROTEIN KINASE; USEFUL AGAINST ANTIBIOTIC RESISTANT ORGANISMS | DEMERS JAMES P (US) | 1999-02-23 | — | — | US | disclosed |
| US-5643950-A | INHIBITORS OF A BACTERIAL HISTIDINE PROTEIN KINASE | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-07-01 | — | — | US | disclosed |