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 | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 6/20 | 0.47 |
| ▸ | MGLL | Q99685 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ESRRG | P62508 | 3/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL4933 | 0.87 | ENPP2 (0.58) | ENPP2MGLLCES2CES1KDM4E | |
| SCHEMBL29547555 | 0.87 | ENPP2 (0.58) | ENPP2MGLLCES2CES1KDM4E | |
| Ethylene SCHEMBL4455146 | 0.83 | ENPP2 (0.54) | ENPP2MGLLCES2CES1KDM4E | |
| Bicarbonate SCHEMBL28665790 | 0.80 | ENPP2 (0.76) | ENPP2MGLLKDM4EALDH1A1PARP1 | |
| Bicarbonate SCHEMBL28930263 | 0.77 | ORAI1 (0.52) | ENPP2MGLLCES2CES1KDM4E | |
| Phenylboronic Acid SCHEMBL28664852 | 0.76 | ENPP2 (0.70) | ENPP2MGLLCA4CA6CA5A | |
| SCHEMBL21125561 | 0.75 | MGLL (0.69) | ENPP2MGLLKDM4EALDH1A1ESRRG | |
| Bicarbonate SCHEMBL28687639 | 0.74 | ENPP2 (0.79) | ENPP2CES2CES1ALDH1A1PARP1 | |
| Bicarbonate SCHEMBL28661178 | 0.74 | ENPP2 (0.49) | ENPP2MGLLALDH1A1 | |
| SCHEMBL1668313 | 0.73 | MGLL (0.85) | ENPP2MGLLCES2KDM4EALDH1A1 |
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 |