Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL11593113 | 0.97 | PEPD (0.41) | — | |
| Bicarbonate SCHEMBL7136582 | 0.93 | GABRR1 (0.42) | — | |
| Bicarbonate SCHEMBL7136153 | 0.93 | GABRR1 (0.42) | — | |
| Bicarbonate SCHEMBL1702507 | 0.93 | — | — | |
| Cyclopentanamine SCHEMBL578697 | 0.90 | THRB (0.39) | — | |
| Carbamic Acid SCHEMBL578618 | 0.90 | — | — | |
| Bicarbonate SCHEMBL8743136 | 0.89 | — | — | |
| Cyclohexylamine SCHEMBL974340 | 0.87 | CES2 (0.43) | — | |
| Cyclooctanamine SCHEMBL11193013 | 0.87 | CES2 (0.43) | — | |
| Cycloheptanamine SCHEMBL720218 | 0.87 | CES2 (0.43) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3169403-B9 | ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES | PROTAGONIST THERAPEUTICS INC (US) | 2024-07-03 | — | — | EP | claimed |
| EP-3169403-B1 | ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES | PROTAGONIST THERAPEUTICS INC (US) | 2024-02-14 | — | — | EP | claimed |
| EP-3209682-B1 | CO-AGONISTS OF THE GLUCAGON AND GLP-1 RECEPTORS | MERCK SHARP & DOHME (US) | 2020-12-30 | — | — | EP | claimed |
| EP-2836485-B1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2018-01-10 | — | — | EP | claimed |
| EP-1765408-B1 | POLYPEPTIDE PROTRACTING TAGS COMPRISING A TETRAZOLE MOIETY | NOVO NORDISK AS (DK) | 2015-12-09 | — | — | EP | claimed |
| EP-2289560-B1 | POLYPEPTIDE PROTRACTING TAGS COMPRISING A TETRAZOLE MOIETY | NOVO NORDISK AS (DK) | 2015-04-22 | — | — | EP | claimed |
| EP-1006122-B1 | PHENETHYLAMINE DERIVATIVES | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2008-12-03 | — | — | EP | claimed |
| EP-0606881-B1 | Cyclic pentapeptides having a beta-turn and a gamma-turn | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1999-05-12 | — | — | EP | claimed |
| EP-2027107-B1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2012-02-15 | — | — | EP | disclosed |
| EP-2357181-A1 | 2,4-Diaminopyrimidines as inhibitors of cell cycle kinases | Boehringer Ingelheim International GmbH (DE) | 2011-08-17 | — | — | EP | disclosed |
| EP-2027107-A1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007132010-A1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-11-22 | — | — | WO | disclosed |
| EP-0991626-A2 | PYRIMIDIN-2,4,6-TRION DERIVATIVES, METHOD FOR PRODUCING THE SAME AND MEDICINAL PRODUCTS CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 2000-04-12 | — | — | EP | disclosed |
| EP-0640618-B1 | Tetrahydronaphthalene-peptide derivatives | HOFFMANN LA ROCHE (CH) | 1999-10-20 | — | — | EP | disclosed |
| WO-1998058915-A2 | PYRIMIDIN-2,4,6-TRION DERIVATIVES AND THEIR USE AS METALLOPROTEASE-INHIBITORS | ROCHE DIAGNOSTICS GMBH (DE) | 1998-12-30 | — | — | WO | disclosed |
| EP-0729972-A1 | Peptide derivatives of tetrahydronaphthalene | F. HOFFMANN-LA ROCHE AG (CH) | 1996-09-04 | — | — | EP | disclosed |
| EP-0640618-A1 | Tetrahydronaphthalene-peptide derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1995-03-01 | — | — | EP | disclosed |
| EP-0592791-A2 | Tricyclic compounds and peptide derivatives thereof | F. HOFFMANN-LA ROCHE AG (CH) | 1994-04-20 | — | — | EP | disclosed |