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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.52 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL297533 | 0.96 | CYP1A2 (0.56) | CYP1A2TDP1PIK3CDHSD11B1DRD3 | |
| Hydrochloric Acid SCHEMBL20261838 | 0.94 | CYP1A2 (0.54) | CYP1A2TDP1PIK3CDHSD11B1DRD3 | |
| SCHEMBL23823660 | 0.84 | CYP1A2 (0.64) | CYP1A2TDP1PIK3CDDRD3HRH3 | |
| SCHEMBL297316 | 0.83 | CYP1A2 (0.52) | CYP1A2TDP1PIK3CDDRD3HRH3 | |
| SCHEMBL1098392 | 0.82 | PIK3CD (0.50) | CYP1A2TDP1PIK3CDDRD3HRH3 | |
| Acetic Acid SCHEMBL137819 | 0.80 | ALDH1A1 (0.50) | HSD11B1ALDH1A1HTTPOLBKDM4E | |
| Acetic Acid SCHEMBL9328243 | 0.80 | ALDH1A1 (0.50) | HSD11B1ALDH1A1HTTPOLBKDM4E | |
| SCHEMBL13589642 | 0.79 | HSD11B1 (0.46) | PIK3CDHSD11B1ALDH1A1HTTPOLB | |
| SCHEMBL2619225 | 0.78 | CYP1A2 (0.56) | CYP1A2TDP1PIK3CDDRD3HRH3 | |
| SCHEMBL378022 | 0.78 | CYP1A2 (0.56) | CYP1A2TDP1PIK3CDDRD3HRH3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130203714-A1 | CHEMICAL COMPOUNDS - 643 | ASTRAZENECA R&D (SE) | 2013-08-08 | — | — | US | disclosed |
| EP-2396333-B1 | TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER | ASTRAZENECA AB (SE) | 2013-07-03 | — | — | EP | disclosed |
| US-8258140-B2 | Chemical compounds—643 | ASTRAZENECA AB (SE) | 2012-09-04 | — | — | US | disclosed |
| EP-2396333-A1 | TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER | AstraZeneca AB (SE) | 2011-12-21 | — | — | EP | disclosed |
| US-20100267699-A1 | CHEMICAL COMPOUNDS - 643 | ASTRAZENECA R&D | 2010-10-21 | — | — | US | disclosed |
| WO-2010092371-A1 | TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER | ASTRAZENECA AB (SE) | 2010-08-19 | — | — | WO | 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 (2 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-20130203714-A1 | CHEMICAL COMPOUNDS - 643 | AR, KLK3, ESRRA | CYP1A2 97/4885TDP1 3972/4885PIK3CD 2620/4885 |
| US-20100267699-A1 | CHEMICAL COMPOUNDS - 643 | AR, KLK3, ESRRA | CYP1A2 86/4885TDP1 3976/4885PIK3CD 2792/4885 |
“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.