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 | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | DGKA | P23743 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | PPM1B | O75688 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL562046 | 0.98 | HCAR2 (0.45) | HCAR2ALDH1A1LMNADGKATSHR | |
| SCHEMBL3110838 | 0.91 | ALDH1A1 (0.56) | HCAR2ALDH1A1LMNADGKATSHR | |
| SCHEMBL4544126 | 0.91 | HCAR2 (0.41) | HCAR2ALDH1A1LMNADGKATSHR | |
| Bicarbonate SCHEMBL21462683 | 0.90 | ALDH1A1 (0.50) | HCAR2ALDH1A1LMNADGKATSHR | |
| Bicarbonate SCHEMBL278365 | 0.90 | ALDH1A1 (0.50) | HCAR2ALDH1A1LMNADGKATSHR | |
| Bicarbonate SCHEMBL278366 | 0.90 | HCAR2 (0.50) | HCAR2ALDH1A1LMNADGKATSHR | |
| SCHEMBL452114 | 0.89 | HCAR2 (0.39) | HCAR2ALDH1A1LMNADGKATSHR | |
| Bicarbonate SCHEMBL27769227 | 0.87 | HCAR2 (0.48) | HCAR2ALDH1A1LMNADGKATSHR | |
| SCHEMBL52299 | 0.87 | — | — | |
| SCHEMBL28046444 | 0.87 | HCAR2 (0.52) | HCAR2ALDH1A1LMNADGKATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-20060019115-A1 | Composite material having improved microstructure and method for its fabrication | A123 SYSTEMS, INC. | 2006-01-26 | — | — | US | disclosed |