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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | STAT6 | P42226 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL4003894 | 1.00 | APLNR (0.38) | APLNRCYP2C19LMNASMN1; SMN2MAPK1 | |
| Cyclopentane SCHEMBL10864965 | 0.94 | APLNR (0.35) | APLNRCYP2C19LMNASMN1; SMN2MAPK1 | |
| SCHEMBL9507172 | 0.91 | APLNR (0.36) | APLNRCYP2C19LMNABLMCYP2C9 | |
| SCHEMBL6714807 | 0.88 | GAA (0.38) | APLNRSMN1; SMN2TSHRGRM2GRM3 | |
| SCHEMBL13783354 | 0.83 | — | — | |
| SCHEMBL111139 | 0.83 | — | — | |
| SCHEMBL18534475 | 0.83 | — | — | |
| Bicarbonate SCHEMBL9484911 | 0.82 | APLNR (0.35) | APLNRCYP2C19LMNASMN1; SMN2MAPK1 | |
| Bicarbonate SCHEMBL10606393 | 0.78 | — | — | |
| Bicarbonate SCHEMBL11122149 | 0.78 | CYP2C19 (0.36) | APLNRCYP2C19SMN1; SMN2CYP2C9GRM6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0170842-B1 | N-BENZYLCYCLOPROPANECARBOXAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND FUNGICIDES FOR AGRICULTURE AND HORTICULTURE | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1989-09-13 | — | — | EP | disclosed |