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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 4/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | XBP1 | P17861 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 SCHEMBL8435300 | 0.85 | TSHR (0.58) | TSHRALDH1A1HTTPOLBMEN1 | |
| Hydrochloric Acid SCHEMBL8432600 | 0.84 | LOXL2 (0.44) | TSHRCYP19A1ALDH1A1POLBMAPT | |
| SCHEMBL29847396 | 0.82 | LOXL2 (0.46) | TSHRALDH1A1POLBMEN1KMT2A | |
| SCHEMBL19998232 | 0.73 | MAPT (0.42) | TSHRALDH1A1POLBMEN1KMT2A | |
| SCHEMBL1316710 | 0.70 | TSHR (0.64) | TSHRCYP19A1ALDH1A1HTTPOLB | |
| Hydrochloric Acid SCHEMBL8432839 | 0.69 | MAPT (0.40) | ALDH1A1HTTMEN1KMT2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8435258 | 0.69 | TSHR (0.50) | TSHRALDH1A1MEN1KMT2AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL8433515 | 0.69 | TSHR (0.50) | TSHRALDH1A1HTTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL8432573 | 0.69 | ALDH1A1 (0.56) | TSHRALDH1A1POLBMEN1KMT2A | |
| SCHEMBL14713553 | 0.68 | MAPT (0.40) | TSHRALDH1A1POLBMEN1KMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5872129-A | REACTING AROMATIC ALPHA-METHYL HALIDES WITH N-ALKYL OR N-ARYLDIETHANOLAMINES TO GIVE QUATERNARY DIOLS AND CONVERTING DIOLS TO HALOGEN OR SULFONATE DERIVATIVES BY TREATING WITH SULFONYL CHLORIDE; ANTITUMOR BLOOD FLOW AGENT | AUCKLAND UNISERVICES LIMITED (NZ) | 1999-02-16 | — | — | US | claimed |
| EP-0700376-A4 | NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LTD (NZ) | 1996-05-22 | — | — | EP | claimed |
| EP-0700376-A1 | NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LIMITED (NZ) | 1996-03-13 | — | — | EP | claimed |
| WO-1994027954-A1 | NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LIMITED (NZ) | 1994-12-08 | — | — | WO | claimed |
| US-5872129-A | REACTING AROMATIC ALPHA-METHYL HALIDES WITH N-ALKYL OR N-ARYLDIETHANOLAMINES TO GIVE QUATERNARY DIOLS AND CONVERTING DIOLS TO HALOGEN OR SULFONATE DERIVATIVES BY TREATING WITH SULFONYL CHLORIDE; ANTITUMOR BLOOD FLOW AGENT | AUCKLAND UNISERVICES LIMITED (NZ) | 1999-02-16 | — | — | US | disclosed |
| US-5691371-A | ANTITUMOR AND -CARCINOGENIC AGENTS; PRODRUGS BIOREDUCED TO RELEASE A CYTOTOXIN, A MECHLORETHAMINE DERIVATIVE; WATER SOLUBLE | AUCKLAND UNISERVICES LIMITED (NZ) | 1997-11-25 | — | — | US | disclosed |
| EP-0700376-A4 | NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LTD (NZ) | 1996-05-22 | — | — | EP | disclosed |
| EP-0700376-A1 | NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LIMITED (NZ) | 1996-03-13 | — | — | EP | disclosed |
| WO-1994027954-A1 | NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS | AUCKLAND UNISERVICES LIMITED (NZ) | 1994-12-08 | — | — | WO | disclosed |