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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TLR4 | O00206 | 1/20 | 0.38 |
| ▸ | REN | P00797 | 3/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
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 SCHEMBL7159638 | 1.00 | CYP1A2 (0.44) | CYP1A2NAAAMAPTTLR4REN | |
| Bicarbonate SCHEMBL1061061 | 0.80 | MAPT (0.49) | CYP1A2NAAAMAPTTLR4POLB | |
| Bicarbonate SCHEMBL28118708 | 0.80 | MAPT (0.49) | CYP1A2NAAAMAPTTLR4POLB | |
| SCHEMBL8658537 | 0.79 | CYP1A2 (0.43) | CYP1A2NAAAMAPTTLR4REN | |
| SCHEMBL27778247 | 0.79 | CYP1A2 (0.54) | CYP1A2NAAAMAPTTLR4REN | |
| SCHEMBL17911188 | 0.76 | ALOX5 (0.42) | CYP1A2NAAAMAPTEPHX1PLA2G1B | |
| SCHEMBL11022044 | 0.76 | CYP1A2 (0.40) | CYP1A2NAAAMAPTTLR4REN | |
| Butylcyclohexane SCHEMBL28895865 | 0.75 | CYP1A2 (0.78) | CYP1A2MAPTEPHX1POLBHPGD | |
| SCHEMBL10942475 | 0.75 | CYP1A2 (0.39) | CYP1A2NAAAMAPTTLR4REN | |
| SCHEMBL10942463 | 0.75 | CYP1A2 (0.39) | CYP1A2NAAAMAPTTLR4REN |
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 |
|---|---|---|---|---|---|---|---|
| CN-104540913-A | Curable compositions comprising composite particles | HENKEL AG & CO KGAA | 2015-04-22 | — | — | CN | disclosed |