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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2434720 | 0.81 | GAA (0.50) | ALDH1A1CDC25BCASP6RCE1CA2 | |
| SCHEMBL29808980 | 0.81 | GAA (0.50) | ALDH1A1CDC25BCASP6RCE1CA2 | |
| SCHEMBL27687301 | 0.77 | ALDH1A1 (0.72) | CES2CES1ALDH1A1CDC25BCASP6 | |
| Bromide SCHEMBL28682203 | 0.76 | ALDH1A1 (0.70) | CES2CES1ALDH1A1CDC25BCASP6 | |
| SCHEMBL3934999 | 0.75 | CA2 (0.42) | ALDH1A1CDC25BCASP6RCE1CA12 | |
| SCHEMBL5373138 | 0.75 | CYP1A2 (0.53) | ALDH1A1CA1CA2MAPTTSHR | |
| SCHEMBL16070906 | 0.75 | SLC7A5 (0.58) | KDM4EALOX15HSD17B10USP2PKM | |
| SCHEMBL1300912 | 0.74 | GAA (0.54) | ALDH1A1CDC25BCASP6RCE1CA12 | |
| SCHEMBL1018494 | 0.74 | PTPN1 (0.47) | CES2CES1ALDH1A1CDC25BCASP6 | |
| SCHEMBL4183446 | 0.74 | CAPN1 (0.43) | ALDH1A1CDC25BCASP6RCE1CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2646448-B1 | MACROCYCLIC KINASE INHIBITORS | OSI PHARMACEUTICALS LLC (US) | 2017-08-30 | — | — | EP | disclosed |
| US-9133224-B2 | Macrocyclic kinase inhibitors | OSI Pharmaceuticals, LLC (US) | 2015-09-15 | — | — | US | disclosed |
| EP-2646448-A1 | MACROCYCLIC KINASE INHIBITORS | OSI Pharmaceuticals, LLC (US) | 2013-10-09 | — | — | EP | disclosed |
| WO-2012074951-A1 | MACROCYCLIC KINASE INHIBITORS | OSI Pharmaceuticals, LLC (US) | 2012-06-07 | — | — | WO | disclosed |