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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 4/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL187306 | 0.94 | FFAR3 (0.37) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL3296887 | 0.94 | FFAR3 (0.41) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL2368817 | 0.94 | FFAR3 (0.37) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Acetic Acid SCHEMBL27420894 | 0.88 | CA1 (0.50) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL4244537 | 0.84 | CA4 (0.39) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL4871294 | 0.84 | FFAR3 (0.38) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL10692532 | 0.84 | CA12 (0.43) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL28173490 | 0.84 | FFAR3 (0.38) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL973334 | 0.84 | FFAR3 (0.38) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL3415283 | 0.84 | CA4 (0.39) | FFAR3HDAC3HDAC1HDAC2HDAC8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8703793-B2 | Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-04-22 | — | — | US | disclosed |
| EP-2268644-B1 | TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION | BOEHRINGER INGELHEIM INT (DE) | 2011-08-17 | — | — | EP | disclosed |
| US-20110021550-A1 | Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-01-27 | — | — | US | disclosed |
| EP-2268644-A1 | TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION | Boehringer Ingelheim International GmbH (DE) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009109549-A1 | TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-09-11 | — | — | 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 (1 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-20110021550-A1 | Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation | COQ8A, TNNT2, TBXA2R | FFAR3 2304/4885HDAC3 1499/4885HDAC1 1839/4885 |
“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.