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 | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | STAT6 | P42226 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
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 SCHEMBL2943876 | 0.82 | FFAR3 (0.44) | CYP2C19SMN1; SMN2LMNAFFAR3NPSR1 | |
| SCHEMBL2419276 | 0.82 | — | — | |
| SCHEMBL10884072 | 0.75 | — | — | |
| SCHEMBL5934352 | 0.75 | — | — | |
| Bicarbonate SCHEMBL10607931 | 0.73 | FFAR3 (0.38) | CYP2C19SMN1; SMN2LMNAHPGDFFAR3 | |
| Hydrochloric Acid SCHEMBL11819218 | 0.73 | CYP2C19 (0.46) | CYP2C19CYP3A4SMN1; SMN2LMNAHPGD | |
| SCHEMBL10596770 | 0.69 | FFAR3 (0.40) | CYP2C19SMN1; SMN2LMNAHPGDFFAR3 | |
| Bicarbonate SCHEMBL28958869 | 0.69 | FFAR3 (0.35) | CYP2C19SMN1; SMN2LMNAFFAR3NPSR1 | |
| Bicarbonate SCHEMBL2900014 | 0.67 | — | — | |
| SCHEMBL4633004 | 0.67 | FFAR3 (0.37) | SMN1; SMN2LMNAHPGDFFAR3NPSR1 |
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-0459285-A1 | Ortho-substituted benzyl esters of cyclopropane carboxylic acids | BASF Aktiengesellschaft (DE) | 1991-12-04 | — | — | EP | disclosed |