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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5685655 | 0.93 | TDP1 (0.36) | TDP1HCAR2DAO | |
| SCHEMBL11787634 | 0.70 | AKR1B1 (0.39) | TDP1ALDH1A1 | |
| SCHEMBL11626885 | 0.66 | GSK3B (0.38) | — | |
| Bicarbonate SCHEMBL27582976 | 0.58 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL27871244 | 0.56 | TSHR (0.67) | DAOALDH1A1 | |
| 1,2-Dichlorobenzene SCHEMBL8356206 | 0.56 | TSHR (0.67) | DAOALDH1A1 | |
| Bicarbonate SCHEMBL28104047 | 0.55 | — | — | |
| Bicarbonate SCHEMBL28340624 | 0.55 | — | — | |
| Bicarbonate SCHEMBL28267791 | 0.55 | — | — | |
| Bicarbonate SCHEMBL28204396 | 0.55 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1902042-B1 | PROCESS FOR PREPARING 3,4-DICHLOROISOTHIAZOLECARBOXYLIC ACID | BAYER CROPSCIENCE AG (DE) | 2009-12-16 | — | — | EP | claimed |
| EP-1902042-A1 | PROCESS FOR PREPARING 3,4-DICHLOROISOTHIAZOLECARBOXYLIC ACID | Bayer CropScience Aktiengesellschaft (DE) | 2008-03-26 | — | — | EP | claimed |
| WO-2007025585-A1 | PROCESS FOR PREPARING 3,4-DICHLOROISOTHIAZOLECARBOXYLIC ACID | BAYER CROPSCIENCE AG (DE) | 2007-03-08 | — | — | WO | claimed |
| EP-1902042-B1 | PROCESS FOR PREPARING 3,4-DICHLOROISOTHIAZOLECARBOXYLIC ACID | BAYER CROPSCIENCE AG (DE) | 2009-12-16 | — | — | EP | disclosed |
| EP-1902042-A1 | PROCESS FOR PREPARING 3,4-DICHLOROISOTHIAZOLECARBOXYLIC ACID | Bayer CropScience Aktiengesellschaft (DE) | 2008-03-26 | — | — | EP | disclosed |
| EP-1902042-A1 | PROCESS FOR PREPARING 3,4-DICHLOROISOTHIAZOLECARBOXYLIC ACID | Bayer CropScience Aktiengesellschaft (DE) | 2008-03-26 | — | — | EP | disclosed |
| WO-2007025585-A1 | PROCESS FOR PREPARING 3,4-DICHLOROISOTHIAZOLECARBOXYLIC ACID | BAYER CROPSCIENCE AG (DE) | 2007-03-08 | — | — | WO | disclosed |
| WO-2007025585-A1 | PROCESS FOR PREPARING 3,4-DICHLOROISOTHIAZOLECARBOXYLIC ACID | BAYER CROPSCIENCE AG (DE) | 2007-03-08 | — | — | WO | disclosed |