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 | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | STAT6 | P42226 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7586079 | 0.88 | — | — | |
| SCHEMBL8083624 | 0.88 | — | — | |
| Bicarbonate SCHEMBL16531348 | 0.79 | APLNR (0.36) | APLNRMAPK1TP53NFKB1CYP2C19 | |
| Bicarbonate SCHEMBL9705765 | 0.74 | APLNR (0.32) | APLNR | |
| Bicarbonate SCHEMBL10430525 | 0.73 | APLNR (0.39) | APLNRMAPK1TP53NFKB1CYP2C19 | |
| Bicarbonate SCHEMBL9704289 | 0.73 | APLNR (0.34) | APLNRMAPK1TP53NFKB1CYP2C19 | |
| Bicarbonate SCHEMBL10353176 | 0.71 | APLNR (0.37) | APLNRMAPK1TP53NFKB1CYP2C19 | |
| SCHEMBL11286945 | 0.71 | APLNR (0.33) | APLNR | |
| Bicarbonate SCHEMBL9324080 | 0.71 | HCAR2 (0.44) | APLNR | |
| SCHEMBL11459497 | 0.70 | PTPN2 (0.37) | APLNR |
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-1230233-A1 | 5-HALO-4-FLUORO-4,7,7-TRIMETHYL-3-OXABICYCLO 4.1.0]HEPTANE-2-ONES, METHOD FOR THEIR PRODUCTION AND THEIR USE IN THE PRODUCTION OF CYCLOPROPANE CARBOXYLIC ACIDS | Aventis CropScience GmbH (DE) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001034592-A1 | 5-HALO-4-FLUORO-4,7,7-TRIMETHYL-3-OXABICYCLO[4.1.0]HEPTANE-2-ONES, METHOD FOR THEIR PRODUCTION AND THEIR USE IN THE PRODUCTION OF CYCLOPROPANE CARBOXYLIC ACIDS | AVENTIS CROPSCIENCE GMBH (DE) | 2001-05-17 | — | — | WO | disclosed |