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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.34 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.33 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | ADK | P55263 | 1/20 | 0.31 |
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 SCHEMBL9792718 | 0.90 | ALDH1A1 (0.76) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Bicarbonate SCHEMBL28121234 | 0.88 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL27950098 | 0.86 | ALDH1A1 (0.76) | ALDH1A1SMN1; SMN2NPC1RAB9AF2RL1 | |
| SCHEMBL28149884 | 0.84 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2NPC1RAB9ANISCH | |
| Oxalic Acid SCHEMBL27560300 | 0.84 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Acetic Acid SCHEMBL28292779 | 0.84 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Acetic Acid SCHEMBL566317 | 0.84 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Acetic Acid SCHEMBL28425228 | 0.82 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Carbamic Acid SCHEMBL9070492 | 0.82 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Acetic Acid SCHEMBL28183765 | 0.82 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E |
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-109776463-A | The preparation method of 2,5- furandicarboxylic acid dialkyl ester | 重庆化工职业学院 | 2019-05-21 | — | — | CN | disclosed |