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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 20/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL392979 | 0.98 | MAP2K1 (0.63) | MAP2K1ABCB11NQO2MAP2K2 | |
| Hydrochloric Acid SCHEMBL436198 | 0.97 | MAP2K1 (0.62) | MAP2K1ABCB11NQO2MAP2K2 | |
| SCHEMBL388639 | 0.92 | MAP2K1 (0.72) | MAP2K1ABCB11NQO2MAP2K2 | |
| SCHEMBL393825 | 0.87 | MAP2K1 (0.73) | MAP2K1MAP2K2 | |
| Hydrochloric Acid SCHEMBL438856 | 0.86 | MAP2K1 (0.55) | MAP2K1ABCB11NQO2MAP2K2 | |
| SCHEMBL391251 | 0.86 | MAP2K1 (0.56) | MAP2K1ABCB11NQO2MAP2K2 | |
| Hydrochloric Acid SCHEMBL438857 | 0.85 | MAP2K1 (0.55) | MAP2K1ABCB11NQO2MAP2K2 | |
| SCHEMBL390061 | 0.85 | MAP2K1 (0.74) | MAP2K1ABCB11NQO2MAP2K2 | |
| SCHEMBL392788 | 0.85 | MAP2K1 (0.66) | MAP2K1MAP2K2 | |
| SCHEMBL392481 | 0.85 | MAP2K1 (0.67) | MAP2K1MAP2K2 |
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-8101639-B2 | 6-oxo-1,6-dihydropyridine compounds as inhibitors of MEK and methods of use thereof | ARRAY BIOPHARMA INC. (US) | 2012-01-24 | — | — | US | disclosed |
| US-8101611-B2 | Substituted pyridazines inhibitors of MEK | ARRAY BIOPHARMA INC. (US) | 2012-01-24 | — | — | US | disclosed |
| US-20110288092-A1 | Heterocyclic Inhibitors of MEK and Methods of Use Thereof | ARRAY BIOPHARMA INC. (US) | 2011-11-24 | — | — | US | disclosed |
| US-20110183981-A1 | HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF | ARRAY BIOPHARMA INC. (US) | 2011-07-28 | — | — | US | disclosed |
| US-20110178136-A1 | HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF | ARRAY BIOPHARMA INC. (US) | 2011-07-21 | — | — | US | disclosed |
| US-7893065-B2 | mitogen activated protein kinase inhibitors; 4-(2-Fluoro-4-(methylthio)phenylamino)-N-(2-hydroxyethoxy)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide; used in the treatment of hyperproliferative diseases, such as cancer and inflammation in mammals | ARRAY BIOPHARMA INC. (US) | 2011-02-22 | — | — | US | disclosed |
| EP-1682138-B1 | HETEROCYCLIC INHIBITORS OF MEK | ARRAY BIOPHARMA INC (US) | 2011-01-12 | — | — | EP | disclosed |
| US-20070293544-A1 | Novel 4-Arylamino Pyridone Derivatives as Mek Inhibitors for the Treatment of Hyper-Proliferative Disorders | MERCK SERONO SA (CH) | 2007-12-20 | — | — | 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 (4 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-20110288092-A1 | Heterocyclic Inhibitors of MEK and Methods of Use Thereof | NRAS, BRAF, RAF1 | MAP2K1 45/4885ABCB11 3583/4885NQO2 279/4885 |
| US-20110178136-A1 | HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF | BRAF, NRAS, CDK9 | MAP2K1 138/4885ABCB11 3020/4885NQO2 392/4885 |
| US-20070293544-A1 | Novel 4-Arylamino Pyridone Derivatives as Mek Inhibitors for the Treatment of Hyper-Proliferative Disorders | BRAF, MAP3K19, MAPK1 | MAP2K1 65/4885ABCB11 2045/4885NQO2 1707/4885 |
| US-20110183981-A1 | HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF | NRAS, BRAF, MAPK9 | MAP2K1 82/4885ABCB11 2311/4885NQO2 265/4885 |
“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.