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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.56 |
| ▸ | SCN1A | P35498 | 4/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 4/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL2055540 | 0.95 | FFAR3 (0.62) | FFAR3SCN1ASCN2ASCN3ACYP1A2 | |
| Hydrochloric Acid SCHEMBL2036241 | 0.93 | FFAR3 (0.59) | FFAR3SCN1ASCN2ASCN3ACYP1A2 | |
| SCHEMBL18169570 | 0.82 | FFAR3 (0.50) | FFAR3SCN1ASCN2ASCN3ACYP1A2 | |
| SCHEMBL12881549 | 0.77 | ALDH1A1 (0.50) | FFAR3HTR2AHTR2CHRH1HTR2B | |
| SCHEMBL16892268 | 0.76 | CYP1A2 (0.42) | FFAR3SCN1ASCN2ASCN3ACYP1A2 | |
| SCHEMBL16886305 | 0.76 | SCN1A (0.35) | FFAR3SCN1ASCN2ASCN3ACYP1A2 | |
| SCHEMBL17727844 | 0.74 | SCN1A (0.41) | FFAR3SCN1ASCN2ASCN3ACYP1A2 | |
| SCHEMBL3057470 | 0.74 | FFAR3 (0.59) | FFAR3HTR2AHTR2CHRH1HTR2B | |
| SCHEMBL2055551 | 0.74 | SCN1A (0.37) | FFAR3SCN1ASCN2ASCN3ACYP1A2 | |
| SCHEMBL17527199 | 0.74 | FFAR3 (0.59) | FFAR3HTR2AHTR2CHRH1HTR2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2513110-B1 | 1,7-DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER | HOFFMANN LA ROCHE (CH) | 2018-12-05 | — | — | EP | disclosed |
| US-9440976-B2 | 1,7-diazacarbazoles and methods of use | GENENTECH, INC. (US) | 2016-09-13 | — | — | US | disclosed |
| US-20150328195-A1 | 1,7-DIAZACARBAZOLES AND METHODS OF USE | GENENTECH, INC. (US) | 2015-11-19 | — | — | US | disclosed |
| US-20140171407-A1 | 1,7-DIAZACARBAZOLES AND METHODS OF USE | GENENTECH, INC. (US) | 2014-06-19 | — | — | US | disclosed |
| EP-2513110-A1 | 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER | F. Hoffmann-La Roche AG (CH) | 2012-10-24 | — | — | EP | disclosed |
| US-20110183938-A1 | 1,7-DIAZACARBAZOLES AND METHODS OF USE | GENENTECH, INC. (US) | 2011-07-28 | — | — | US | disclosed |
| WO-2011073263-A1 | 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2011-06-23 | — | — | 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 (3 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-20150328195-A1 | 1,7-DIAZACARBAZOLES AND METHODS OF USE | CHEK1, CHEK2, BUB1B | FFAR3 3194/4885SCN1A 1882/4885SCN2A 3995/4885 |
| US-20110183938-A1 | 1,7-DIAZACARBAZOLES AND METHODS OF USE | CHEK1, CHEK2, BUB1B | FFAR3 3194/4885SCN1A 1882/4885SCN2A 3995/4885 |
| US-20140171407-A1 | 1,7-DIAZACARBAZOLES AND METHODS OF USE | CHEK1, CHEK2, BUB1B | FFAR3 3194/4885SCN1A 1882/4885SCN2A 3995/4885 |
“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.