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 | 1/20 | 0.56 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.39 |
| ▸ | KDM2A | Q9Y2K7 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL10453091 | 0.98 | CYP1A2 (0.52) | CYP1A2HSD11B1HPGDCA1CA2 | |
| Bicarbonate SCHEMBL10729677 | 0.96 | CYP1A2 (0.52) | CYP1A2HSD11B1HPGDCA1CA2 | |
| Bicarbonate SCHEMBL10453200 | 0.93 | CYP1A2 (0.46) | CYP1A2HSD11B1HPGDCA1CA2 | |
| Bicarbonate SCHEMBL10617189 | 0.92 | CYP1A2 (0.48) | CYP1A2HSD11B1HPGDCA1CA2 | |
| SCHEMBL9651301 | 0.91 | CYP1A2 (0.52) | CYP1A2HSD11B1HPGDCA1CA2 | |
| Urea SCHEMBL1838296 | 0.88 | CYP1A2 (0.54) | CYP1A2HSD11B1HPGDCA1CA2 | |
| SCHEMBL10430530 | 0.88 | CYP1A2 (0.54) | CYP1A2HSD11B1HPGDCA1CA2 | |
| Bicarbonate SCHEMBL9367749 | 0.87 | CYP2C9 (0.47) | CYP1A2HPGDCA1CA2CA4 | |
| SCHEMBL7741556 | 0.87 | CYP1A2 (0.70) | CYP1A2HSD11B1CA1CA2CA4 | |
| SCHEMBL11726232 | 0.87 | CYP1A2 (0.70) | CYP1A2HSD11B1CA1CA2CA4 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1006098-B1 | Cross-bridged cyclohexane derivatives and liquid crystal medium | MERCK PATENT GMBH (DE) | 2004-04-07 | — | — | EP | disclosed |
| EP-1006098-A2 | Cross-bridged cyclohexane derivatives and liquid crystal medium | MERCK PATENT GmbH (DE) | 2000-06-07 | — | — | EP | disclosed |
| EP-0107759-B1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS COMPONENTS FOR LIQUID CRYSTALS | MERCK PATENT GmbH (DE) | 1992-12-16 | — | — | EP | disclosed |
| EP-0250505-B1 | LIQUID CRYSTAL ISOTHIOCYANATE DERIVATIVES | MERCK PATENT GmbH (DE) | 1990-07-04 | — | — | EP | disclosed |
| EP-0250505-A1 | LIQUID CRYSTAL ISOTHIOCYANATE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1988-01-07 | — | — | EP | disclosed |
| EP-0127816-B1 | TRANS-DECALINCARBONITRILES | MERCK PATENT GmbH (DE) | 1987-08-19 | — | — | EP | disclosed |
| WO-1987003870-A1 | LIQUID CRYSTAL ISOTHIOCYANATE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-07-02 | — | — | WO | disclosed |
| EP-0220463-A2 | Polymer materials presenting a liquid crystal phase | MERCK PATENT GmbH (DE) | 1987-05-06 | — | — | EP | disclosed |
| EP-0127816-A2 | Trans-Decalincarbonitriles | MERCK PATENT GmbH (DE) | 1984-12-12 | — | — | EP | disclosed |
| EP-0107759-A2 | Cyclohexane derivatives and their use as components for liquid crystals | MERCK PATENT GmbH (DE) | 1984-05-09 | — | — | EP | disclosed |
| EP-0103681-A1 | Tetra- and pentacyclic monoesters | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-03-28 | — | — | EP | disclosed |
| EP-0030761-B1 | ANISOTROPIC CYCLOHEXYL ETHERS | MERCK PATENT GmbH (DE) | 1984-03-21 | — | — | EP | disclosed |
| EP-0022882-B1 | ANISOTROPIC CARBOXYLIC-ACID-4-CYCLOHEXYLPHENYL ESTERS AND MIXTURES OF LIQUID CRYSTALS CONTAINING THEM | MERCK PATENT GmbH (DE) | 1982-12-15 | — | — | EP | disclosed |
| EP-0023730-B1 | CYCLOHEXYLCYCLOHEXANOATES, PROCESS FOR THEIR PREPARATION AND LIQUID-CRYSTAL MIXTURE CONTAINING THEM | MERCK PATENT GmbH (DE) | 1982-11-03 | — | — | EP | disclosed |
| EP-0030761-A1 | Anisotropic cyclohexyl ethers | MERCK PATENT GmbH (DE) | 1981-06-24 | — | — | EP | disclosed |
| EP-0023730-A1 | Cyclohexylcyclohexanoates, process for their preparation and liquid-crystal mixture containing them | MERCK PATENT GmbH (DE) | 1981-02-11 | — | — | EP | disclosed |
| EP-0022882-A1 | Anisotropic carboxylic-acid-4-cyclohexylphenyl esters and mixtures of liquid crystals containing them | MERCK PATENT GmbH (DE) | 1981-01-28 | — | — | EP | disclosed |