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.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CD74 | P04233 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SCN4A | P35499 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL30801127 | 0.93 | HCAR2 (0.43) | HCAR2ALOX15NPC1RAB9AL3MBTL1 | |
| Oxalic Acid SCHEMBL27558037 | 0.93 | HCAR2 (0.43) | HCAR2ALOX15NPC1RAB9AL3MBTL1 | |
| Benzene SCHEMBL27553953 | 0.93 | CYP1A2 (0.40) | HCAR2ALOX15NPC1RAB9AL3MBTL1 | |
| Acetic Acid SCHEMBL4456446 | 0.91 | HCAR2 (0.42) | HCAR2ALOX15NPC1RAB9AL3MBTL1 | |
| SCHEMBL14691463 | 0.91 | — | — | |
| SCHEMBL30564 | 0.91 | — | — | |
| Urea SCHEMBL5212492 | 0.89 | HCAR2 (0.39) | HCAR2ALOX15NPC1RAB9AL3MBTL1 | |
| Hypochlorous Acid SCHEMBL27887759 | 0.88 | — | — | |
| Methyl Alcohol SCHEMBL27901542 | 0.88 | — | — | |
| SCHEMBL28767768 | 0.88 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2768826-A1 | SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS | Bayer Intellectual Property GmbH (DE) | 2014-08-27 | — | — | EP | disclosed |
| WO-2013057101-A1 | SUBSTITUTED OXADIAZOLYL PYRIDINONES AND OXADIAZOLYL PYRIDAZINONES AS HIF INHIBITORS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-04-25 | — | — | WO | disclosed |