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 | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 3/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.36 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
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 SCHEMBL3415283 | 1.00 | CA4 (0.39) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| Bicarbonate SCHEMBL973334 | 0.93 | FFAR3 (0.38) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL10692532 | 0.93 | CA12 (0.43) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| Bicarbonate SCHEMBL28173490 | 0.93 | FFAR3 (0.38) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL4871294 | 0.93 | FFAR3 (0.38) | FFAR3HDAC3HDAC1HDAC2HDAC8 | |
| Bicarbonate SCHEMBL28836727 | 0.91 | CA12 (0.39) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| Acetic Acid SCHEMBL27593437 | 0.90 | CA1 (0.50) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| Oxalic Acid SCHEMBL28796420 | 0.90 | CA4 (0.41) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| Bicarbonate SCHEMBL2368817 | 0.90 | FFAR3 (0.37) | CA4FFAR3HDAC3HDAC1HDAC2 | |
| Bicarbonate SCHEMBL973333 | 0.84 | FFAR3 (0.37) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2014663-A1 | Thieno-pyrimidyl amines as modulators of EP2 receptors | Bayer Schering Pharma AG (DE) | 2009-01-14 | — | — | EP | disclosed |
| EP-1748987-A2 | 2-PROPENE-1-ONES AS HSP 70 INDUCERS | Torrent Pharmaceuticals Ltd (IN) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005097746-A2 | 2-PROPENE-1-ONES AS HSP 70 INDUCERS | TORRENT PHARMACEUTICALS LTD (IN) | 2005-10-20 | — | — | WO | disclosed |