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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 6/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.42 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11486135 | 0.93 | KDM1A (0.44) | CYP3A4CYP2C9CYP2C19LMNATSHR | |
| Bicarbonate SCHEMBL11486402 | 0.84 | KDM1A (0.46) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| Bicarbonate SCHEMBL11487637 | 0.81 | SLC9A1 (0.45) | KDM1AHRH3SLC6A4SLC6A3SLC6A2 | |
| Bicarbonate SCHEMBL11481423 | 0.81 | MAPK1 (0.45) | CYP3A4CYP2C9CYP2C19MAPK1 | |
| SCHEMBL11487883 | 0.79 | KDM1A (0.44) | KDM1AMAOBKCNH2RCOR1KDM1B | |
| SCHEMBL11481136 | 0.76 | SLC9A1 (0.47) | MAPK1SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL31335283 | 0.76 | SLC6A3 (0.52) | SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL31335311 | 0.76 | SLC6A3 (0.52) | SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL31335247 | 0.76 | SLC6A3 (0.55) | SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL11480468 | 0.75 | SLC9A1 (0.46) | KDM1AHRH3SLC6A4SLC6A3SLC6A2 |
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 |