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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 5/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL873591 | 0.92 | CA1 (0.40) | CA1CA2ALOX5AKR1B10AKR1B1 | |
| SCHEMBL28275335 | 0.84 | CA1 (0.45) | CA1CA2AKR1B10AKR1B1PTPN1 | |
| Benzyl Salicylate SCHEMBL27477497 | 0.82 | TDP1 (0.55) | CA12CA4CA6CA5ACA7 | |
| SCHEMBL7948327 | 0.82 | CA1 (0.53) | CA1CA2PLA2G2A | |
| SCHEMBL28512054 | 0.81 | PTPN1 (0.41) | CA1CA2ALOX5AKR1B10AKR1B1 | |
| SCHEMBL28862459 | 0.80 | PTPN1 (0.34) | CA1CA2ALOX5AKR1B10AKR1B1 | |
| SCHEMBL5606507 | 0.76 | PPARG (0.48) | CA1CA2ALOX5AKR1B10AKR1B1 | |
| SCHEMBL874193 | 0.74 | TYR (0.40) | CA1CA2ALOX5PPARGGABRA1 | |
| SCHEMBL26046430 | 0.74 | TYR (0.40) | CA1CA2ALOX5PPARGGABRA1 | |
| SCHEMBL7948311 | 0.73 | HNF4A (0.50) | PTPN1 |
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-104475758-B | Liquid composition | 日立化成株式会社 | 2018-01-05 | — | — | CN | disclosed |