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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 6/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.46 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11487883 | 0.95 | KDM1A (0.44) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| Bicarbonate SCHEMBL11480278 | 0.84 | CYP3A4 (0.45) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| Bicarbonate SCHEMBL11568430 | 0.82 | SLC9A1 (0.47) | KDM1AHTR2CHTR2BHRH3SLC6A4 | |
| Bicarbonate SCHEMBL11479665 | 0.82 | SLC9A1 (0.47) | HTR2CHTR2BSLC6A4SLC6A3 | |
| SCHEMBL11486135 | 0.81 | KDM1A (0.44) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL11487816 | 0.79 | SLC9A1 (0.47) | HTR2CHTR2BSLC6A4SLC6A3 | |
| SCHEMBL11480706 | 0.77 | SLC9A1 (0.46) | KDM1AHTR2CHTR2BHRH3SLC6A4 | |
| SCHEMBL17403045 | 0.76 | KDM1A (0.60) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL12875752 | 0.76 | KDM1A (0.60) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL455246 | 0.76 | FFAR1 (0.59) | KDM1AMAOBKCNH2RCOR1KDM1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0001566-B1 | CYCLOBUTANECARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES | BAYER AG (DE) | 1980-11-26 | — | — | EP | disclosed |
| EP-0001566-A2 | Cyclobutanecarboxylic acid derivatives, processes for their preparation and their use as insecticides | BAYER AG (DE) | 1979-05-02 | — | — | EP | disclosed |