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 | 0.49 |
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.52 |
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
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 SCHEMBL9283092 | 1.00 | RAB9A (0.52) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL9147758 | 0.83 | BCHE (0.49) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL9458906 | 0.83 | BCHE (0.49) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL9152953 | 0.82 | RAB9A (0.53) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL9459288 | 0.82 | RAB9A (0.53) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19 | |
| SCHEMBL9280526 | 0.80 | RAB9A (0.54) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL8598996 | 0.76 | RAB9A (0.51) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19 | |
| SCHEMBL713083 | 0.75 | RAB9A (0.79) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19 | |
| SCHEMBL713085 | 0.75 | RAB9A (0.79) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL909245 | 0.74 | RAB9A (0.47) | RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995021822-A1 | PYRIDINIUM COMPOUNDS | GEORGIA TECH RESEARCH CORPORATION (US) | 1995-08-17 | — | — | WO | disclosed |
| EP-0643697-A4 | QUATERNARY PYRIDINIUM COMPOUNDS. | — | 1995-04-12 | — | — | EP | disclosed |
| EP-0643697-A1 | QUATERNARY PYRIDINIUM COMPOUNDS | GEORGIA TECH RESEARCH CORPORATION (US) | 1995-03-22 | — | — | EP | disclosed |
| US-5290942-A | Acetylcholinesterase inhibitors | GEORGIA TECH RESEARCH CORPORATION (US) | 1994-03-01 | — | — | US | disclosed |
| WO-1993024459-A1 | QUATERNARY PYRIDINIUM COMPOUNDS | GEORGIA TECH RESEARCH CORPORATION (US) | 1993-12-09 | — | — | WO | disclosed |
| US-5206371-A | Acetylcholinesterase inhibitor | GEORGIA TECH RESEARCH CORPORATION (US) | 1993-04-27 | — | — | US | disclosed |
| US-5180831-A | Acetylcholinesterase Inhibitors | GEORGIA TECH RESEARCH CORPORATION (US) | 1993-01-19 | — | — | US | disclosed |