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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19219865 | 0.89 | — | — | |
| SCHEMBL172590 | 0.89 | — | — | |
| SCHEMBL18656958 | 0.89 | — | — | |
| SCHEMBL29967256 | 0.81 | ALDH1A1 (0.56) | LMNAMAPK1KMT2APTGS2HIF1A | |
| Isopropylbenzene SCHEMBL19859226 | 0.79 | CYP2D6 (0.52) | CYP2D6SRCLMNAMAPK1ALOX5 | |
| Isopropylbenzene SCHEMBL9345572 | 0.79 | CYP2D6 (0.52) | CYP2D6SRCLMNAMAPK1ALOX5 | |
| Isopropylbenzene SCHEMBL11150402 | 0.79 | CYP2D6 (0.52) | CYP2D6SRCLMNAMAPK1ALOX5 | |
| Phenyl Ethanol SCHEMBL28552574 | 0.77 | LMNA (0.54) | CYP2D6SRCLMNAMAPK1ALOX5 | |
| SCHEMBL29009992 | 0.76 | PTGS2 (0.61) | LMNAALOX5KMT2APTGS2HIF1A | |
| SCHEMBL5211118 | 0.76 | TSHR (0.55) | KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-110088082-A | Method for producing fluorofomates compound | 索尔维公司 | 2019-08-02 | — | — | CN | claimed |
| CN-110088082-A | Method for producing fluorofomates compound | 索尔维公司 | 2019-08-02 | — | — | CN | disclosed |