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 | 7/20 | 0.65 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PPM1B | O75688 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
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 SCHEMBL28320275 | 1.00 | ALDH1A1 (0.65) | ALDH1A1SOAT1HCAR2LMNAHSD17B10 | |
| SCHEMBL7057738 | 0.95 | ALDH1A1 (0.72) | ALDH1A1SOAT1HCAR2LMNAHSD17B10 | |
| SCHEMBL137153 | 0.95 | — | — | |
| SCHEMBL26267545 | 0.92 | ALDH1A1 (0.68) | ALDH1A1SOAT1HCAR2LMNAHSD17B10 | |
| Fluoride SCHEMBL29068335 | 0.92 | ALDH1A1 (0.68) | ALDH1A1SOAT1HCAR2LMNAHSD17B10 | |
| Bicarbonate SCHEMBL21462683 | 0.92 | ALDH1A1 (0.50) | ALDH1A1SOAT1HCAR2LMNAGAA | |
| Bicarbonate SCHEMBL278365 | 0.92 | ALDH1A1 (0.50) | ALDH1A1SOAT1HCAR2LMNAGAA | |
| Bicarbonate SCHEMBL27769227 | 0.90 | HCAR2 (0.48) | ALDH1A1SOAT1HCAR2LMNAGAA | |
| Hydrogen Peroxide SCHEMBL28922349 | 0.89 | ALDH1A1 (0.53) | ALDH1A1SOAT1HCAR2LMNAHSD17B10 | |
| SCHEMBL23051686 | 0.89 | ALDH1A1 (0.56) | ALDH1A1SOAT1HCAR2LMNAHSD17B10 |
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-110168787-A | Negative electrode material for lithium ion secondary battery, negative electrode for lithium ion secondary battery, and lithium ion secondary battery | 日立化成株式会社 | 2019-08-23 | — | — | CN | disclosed |