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 | |
|---|---|---|---|---|
| ▸ | GSK3A known ✓ | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 2/20 | 0.36 |
| ▸ | BRAF | P15056 | 2/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL18167195 | 0.85 | TYK2 (0.43) | BTKPIK3CAPIK3CB | |
| Bicarbonate SCHEMBL18167223 | 0.83 | KDM6B (0.36) | ADORA2A | |
| SCHEMBL10084 | 0.83 | LPAR1 (0.51) | ADORA2AADORA1CLK4MEN1USP2 | |
| Bicarbonate SCHEMBL18167188 | 0.80 | SCD5 (0.40) | MEN1ALDH1A1TSHRKMT2ASCD | |
| Bicarbonate SCHEMBL18167240 | 0.79 | KDM4E (0.36) | ALDH1A1 | |
| Bicarbonate SCHEMBL18167208 | 0.79 | DGAT1 (0.38) | USP2ALDH1A1TSHRHSD17B10SCD | |
| SCHEMBL5129 | 0.79 | ABCC3 (0.42) | KIF18A | |
| Bicarbonate SCHEMBL18167219 | 0.78 | MAPT (0.38) | ALDH1A1 | |
| Bicarbonate SCHEMBL18167209 | 0.78 | LPAR1 (0.38) | ALDH1A1 | |
| Bicarbonate SCHEMBL18167180 | 0.78 | MLLT1 (0.39) | MEN1ALDH1A1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2483251-B1 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS INC (US) | 2016-10-26 | — | — | EP | claimed |