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 | |
|---|---|---|---|---|
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | METAP2 | P50579 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MYC | P01106 | 1/20 | 0.47 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.46 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3870822 | 0.98 | ALDH1A1 (0.54) | SIRT3TDP1ALDH1A1HPGDKDM4E | |
| SCHEMBL6099 | 0.95 | ALDH1A1 (0.56) | SIRT3TDP1ALDH1A1HPGDKDM4E | |
| SCHEMBL1558192 | 0.95 | ALDH1A1 (0.56) | SIRT3TDP1ALDH1A1HPGDKDM4E | |
| Hydroxyamine SCHEMBL8105651 | 0.93 | ALDH1A1 (0.54) | SIRT3TDP1ALDH1A1HPGDKDM4E | |
| Hydrochloric Acid SCHEMBL2915134 | 0.93 | ALDH1A1 (0.54) | SIRT3TDP1ALDH1A1HPGDKDM4E | |
| Water SCHEMBL27485902 | 0.93 | ALDH1A1 (0.54) | SIRT3TDP1ALDH1A1HPGDKDM4E | |
| Hydrochloric Acid SCHEMBL4369214 | 0.93 | ALDH1A1 (0.54) | SIRT3TDP1ALDH1A1HPGDKDM4E | |
| Hydrochloric Acid SCHEMBL7029926 | 0.93 | ALDH1A1 (0.54) | SIRT3TDP1ALDH1A1HPGDKDM4E | |
| SCHEMBL28394928 | 0.93 | ALDH1A1 (0.54) | SIRT3TDP1ALDH1A1HPGDKDM4E | |
| Ammonia Solution, Strong SCHEMBL28231571 | 0.93 | ALDH1A1 (0.54) | SIRT3TDP1ALDH1A1HPGDKDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090099210-A1 | ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF | ASTRAZENECA AB (SE) | 2009-04-16 | — | — | US | disclosed |
| US-7498333-B2 | Enantiomers of selected fused heterocyclics and uses thereof | ASTRAZENECA AB (SE) | 2009-03-03 | — | — | US | disclosed |
| US-20080293744-A1 | Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer | ASTRAZENECA AB (SE) | 2008-11-27 | — | — | US | disclosed |
| US-20080153854-A1 | NOVEL FUSED HETEROCYCLES AND USES THEREOF | ASTRAZENECA AB (SE) | 2008-06-26 | — | — | US | disclosed |
| US-20060270689-A1 | Novel Fused Heterocycles and Uses Thereof | ASTRAZENECA AB (SE) | 2006-11-30 | — | — | US | disclosed |
| US-20060063751-A1 | Novel fused heterocycles and uses thereof | ASTRAZENECA AB (SE) | 2006-03-23 | — | — | US | disclosed |
| US-20060041128-A1 | Selected fused heterocyclics and uses thereof | ASTRAZENECA AB (SE) | 2006-02-23 | — | — | US | disclosed |
| US-20060041129-A1 | Enantiomers of selected fused heterocyclics and uses thereof | ASTRAZENECA AB (SE) | 2006-02-23 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060063751-A1 | Novel fused heterocycles and uses thereof | RB1, CDK19, PRMT9 | SIRT3 338/4885TDP1 1102/4885ALDH1A1 672/4885 |
| US-20080153854-A1 | NOVEL FUSED HETEROCYCLES AND USES THEREOF | RB1, CDK19, PRMT9 | SIRT3 338/4885TDP1 1102/4885ALDH1A1 672/4885 |
| US-20080293744-A1 | Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer | DHFR, DPYD, TYMS | SIRT3 2661/4885TDP1 863/4885ALDH1A1 172/4885 |
| US-20060041128-A1 | Selected fused heterocyclics and uses thereof | SDHA, CYP11B2, NQO1 | SIRT3 279/4885TDP1 1474/4885ALDH1A1 293/4885 |
| US-20090099210-A1 | ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF | CYP11B2, HCCS, CYP11B1 | SIRT3 948/4885TDP1 2010/4885ALDH1A1 214/4885 |
| US-20060041129-A1 | Enantiomers of selected fused heterocyclics and uses thereof | CYP11B2, HCCS, CYP11B1 | SIRT3 948/4885TDP1 2010/4885ALDH1A1 214/4885 |
| US-20060270689-A1 | Novel Fused Heterocycles and Uses Thereof | BRCA1, CYP1B1, CCNI | SIRT3 973/4885TDP1 1532/4885ALDH1A1 316/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.