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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.52 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.52 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.52 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | LPL | P06858 | 1/20 | 0.41 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5508 | 0.85 | ORAI1 (0.68) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| SCHEMBL21979751 | 0.85 | ORAI1 (0.68) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| SCHEMBL18839425 | 0.83 | ORAI1 (0.65) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| SCHEMBL31514900 | 0.80 | LTA4H (0.55) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| SCHEMBL2551749 | 0.78 | CA2 (0.61) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| Bicarbonate SCHEMBL28678657 | 0.77 | ENPP2 (0.47) | ENPP2KDM4EMGLLCES2CES1 | |
| Phenylboronic Acid SCHEMBL28664852 | 0.76 | ENPP2 (0.70) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| Phenylboronic Acid SCHEMBL28610016 | 0.76 | ENPP2 (0.70) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| SCHEMBL1668718 | 0.75 | HSPB1 (0.56) | ORAI1ORAI2ORAI3TRPV6CA2 | |
| SCHEMBL13806989 | 0.74 | ORAI1 (0.54) | ORAI1ORAI2ORAI3TRPV6CA2 |
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-108467370-B | Triazole naphthoquinone bi-aromatic ring derivative or triazole naphthoquinone bi-aromatic heterocyclic derivative, and preparation method and application thereof | 四川大学 | 2021-11-23 | — | — | CN | disclosed |