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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.50 |
| ▸ | KDM5A | P29375 | 3/20 | 0.49 |
| ▸ | PHF8 | Q9UPP1 | 3/20 | 0.49 |
| ▸ | KDM2A | Q9Y2K7 | 3/20 | 0.49 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.49 |
| ▸ | KDM4A | O75164 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | NAAA | Q02083 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
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 SCHEMBL9562968 | 1.00 | CYP1A2 (0.65) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| Bicarbonate SCHEMBL5183166 | 0.98 | CYP1A2 (0.68) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| Bicarbonate SCHEMBL10348160 | 0.96 | CYP1A2 (0.61) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| Bicarbonate SCHEMBL11126117 | 0.94 | CYP1A2 (0.63) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| SCHEMBL9805360 | 0.92 | CYP1A2 (0.61) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| SCHEMBL9153522 | 0.92 | CYP1A2 (0.61) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| Propionic Acid SCHEMBL3879824 | 0.92 | CYP1A2 (0.65) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| Butylcyclohexane SCHEMBL28895865 | 0.92 | CYP1A2 (0.78) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| Urea SCHEMBL1837240 | 0.90 | CYP1A2 (0.63) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| SCHEMBL7518224 | 0.90 | CYP1A2 (0.63) | CYP1A2SIGMAR1KDM5APHF8KDM2A |
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-3105366-B1 | USE OF PHOSPHO-TARTARIC ACID AND THE SALTS THEREOF FOR THE TREATMENT OF WATER IN WATER-CONDUCTING SYSTEMS | KURITA WATER IND LTD (JP) | 2018-04-04 | — | — | EP | claimed |
| EP-3105366-A1 | USE OF PHOSPHO-TARTARIC ACID AND THE SALTS THEROF FOR THE TREATMENT OF WATER IN WATER-CONDUCTING SYSTEMS | Kurita Water Industries Ltd. (JP) | 2016-12-21 | — | — | EP | claimed |
| EP-3105366-B1 | USE OF PHOSPHO-TARTARIC ACID AND THE SALTS THEREOF FOR THE TREATMENT OF WATER IN WATER-CONDUCTING SYSTEMS | KURITA WATER IND LTD (JP) | 2018-04-04 | — | — | EP | disclosed |
| EP-3105366-A1 | USE OF PHOSPHO-TARTARIC ACID AND THE SALTS THEROF FOR THE TREATMENT OF WATER IN WATER-CONDUCTING SYSTEMS | Kurita Water Industries Ltd. (JP) | 2016-12-21 | — | — | EP | disclosed |
| WO-2008034511-A1 | INDANE COMPOUNDS FOR USE AS COMPONENTS OF LIQUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 2008-03-27 | — | — | WO | disclosed |
| EP-1515931-A1 | 3,3,4,4-TETRAFLUOROCYCLOPENTANE COMPOUNDS, USED AS COMPONENTS OF LIQUID CRYSTAL MEDIA | MERCK PATENT GmbH (DE) | 2005-03-23 | — | — | EP | disclosed |
| EP-1373434-A1 | FLUORINATED FLUORENE DERIVATIVES | MERCK PATENT GmbH (DE) | 2004-01-02 | — | — | EP | disclosed |
| WO-2004000771-A1 | 3,3,4,4-TETRAFLUOROCYCLOPENTANE COMPOUNDS, USED AS COMPONENTS OF LIQUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 2003-12-31 | — | — | WO | disclosed |
| WO-2002098832-A1 | CF2O-BRIDGED, AXIALLY SUBSTITUTED CYCLOHEXANE DERIVATIVES. | MERCK PATENT GMBH (DE) | 2002-12-12 | — | — | WO | disclosed |
| WO-2002079344-A1 | FLUORINATED FLUORENE DERIVATIVES | MERCK PATENT GMBH (DE) | 2002-10-10 | — | — | WO | disclosed |
| WO-2002012415-A1 | ELECTROOPTICAL LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2002-02-14 | — | — | WO | disclosed |
| EP-0998452-A1 | LIQUID CRYSTAL PROPENE OR PROPENYL NITRILE DERIVATIVES | MERCK PATENT GmbH (DE) | 2000-05-10 | — | — | EP | disclosed |
| WO-1999005097-A1 | LIQUID CRYSTAL PROPENE OR PROPENYL NITRILE DERIVATIVES | MERCK PATENT GMBH (DE) | 1999-02-04 | — | — | WO | disclosed |
| EP-0807153-A1 | ELECTRO-OPTIC LIQUID CRYSTAL DISPLAY | MERCK PATENT GmbH (DE) | 1997-11-19 | — | — | EP | disclosed |
| WO-1996023851-A1 | ELECTRO-OPTIC LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 1996-08-08 | — | — | WO | disclosed |
| EP-0663941-A1 | 2-FLUOROCYCLOHEXENE DERIVATIVES | MERCK PATENT GmbH (DE) | 1995-07-26 | — | — | EP | disclosed |
| WO-1994021747-A1 | 1,2,2,2-TETRAFLUOROETHYLETHERS AND LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 1994-09-29 | — | — | WO | disclosed |