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 | |
|---|---|---|---|---|
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.43 |
| ▸ | ESR1 | P03372 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10972485 | 0.92 | ESR2 (0.45) | HAO1MITFKLF5ESR2ESR1 | |
| SCHEMBL11210597 | 0.85 | ESR2 (0.47) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL11210601 | 0.85 | ESR2 (0.47) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL9810457 | 0.84 | NPC1 (0.55) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL7731601 | 0.84 | CYP2C9 (0.46) | HAO1ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL9810459 | 0.84 | NPC1 (0.55) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL10817633 | 0.84 | NPC1 (0.55) | ESR2ESR1CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL5474554 | 0.84 | CYP2C9 (0.46) | HAO1ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL9340746 | 0.82 | CA2 (0.40) | ESR2ESR1CYP3A4CYP2C9HTT | |
| SCHEMBL10818748 | 0.81 | NPC1 (0.44) | HAO1ESR2ESR1CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0090671-B1 | CARBOCYLIC ESTERS HAVING LIQUID-CRYSTAL PROPERTIES AT HIGH TEMPERATURES | Chisso Corporation (JP) | 1985-06-19 | — | — | EP | claimed |