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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL1872941 | 0.95 | — | — | |
| SCHEMBL703052 | 0.95 | — | — | |
| SCHEMBL94571 | 0.95 | — | — | |
| Bromide SCHEMBL11156909 | 0.93 | — | — | |
| SCHEMBL31048379 | 0.93 | — | — | |
| SCHEMBL5482526 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL2011967 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL2011971 | 0.93 | — | — | |
| SCHEMBL31350235 | 0.93 | CYP2D6 (0.52) | — | |
| Hydrochloric Acid SCHEMBL4328612 | 0.93 | — | — |
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 |