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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL30873818 | 0.88 | MAPT (0.56) | CYP1A2MAPTKMT2AKCNN4CYP2C19 | |
| Bicarbonate SCHEMBL27817573 | 0.87 | CYP2C9 (0.59) | CYP1A2MAPTKMT2APTPN1TSHR | |
| Bicarbonate SCHEMBL28016245 | 0.87 | CYP2C9 (0.59) | CYP1A2MAPTKMT2APTPN1TSHR | |
| SCHEMBL230628 | 0.87 | KCNN4 (0.53) | CYP1A2KCNN4CYP2C19PTPN1TSHR | |
| Hydrochloric Acid SCHEMBL30101973 | 0.83 | KCNN4 (0.50) | CYP1A2KCNN4CYP2C19PTPN1TSHR | |
| SCHEMBL29554666 | 0.83 | KCNN4 (0.50) | CYP1A2KCNN4CYP2C19PTPN1TSHR | |
| Bromide SCHEMBL31591135 | 0.83 | KCNN4 (0.50) | CYP1A2KCNN4CYP2C19PTPN1TSHR | |
| SCHEMBL9846771 | 0.83 | KCNN4 (0.50) | CYP1A2KCNN4CYP2C19PTPN1TSHR | |
| Tert-Butylbenzene SCHEMBL27449728 | 0.82 | MAPT (0.56) | CYP1A2MAPTKMT2AKCNN4CYP2C19 | |
| SCHEMBL18896444 | 0.82 | TSHR (0.59) | TSHRCES1DAONAPRTALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100434453-C | Polycarbonates, polyester carbonates and polyesters containing pendant cycloalkyl-substituted phenols | BAYER MATERIALSCIENCE AG (DE) | 2008-11-19 | — | — | CN | disclosed |
| CN-1729227-A | Polycarbonates, polyester carbonates and polyesters containing pendant cycloalkyl-substituted phenols | BAYER MATERIALSCIENCE AG (DE) | 2006-02-01 | — | — | CN | disclosed |