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 | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 3/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 5/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.38 |
| ▸ | SCN1A | P35498 | 2/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | GALR3 | O60755 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 2/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL14801758 | 0.94 | BBOX1 (0.48) | BBOX1CHRM1CHRM3CHRM4CHRM2 | |
| Bicarbonate SCHEMBL30869315 | 0.94 | BBOX1 (0.48) | BBOX1CHRM1CHRM3CHRM4CHRM2 | |
| SCHEMBL29201377 | 0.92 | BBOX1 (0.47) | BBOX1CHRM1CHRM3CHRM4CHRM2 | |
| Propionic Acid SCHEMBL147098 | 0.92 | BBOX1 (0.52) | BBOX1CHRM1CHRM3CHRM4CHRM2 | |
| Bicarbonate SCHEMBL29201343 | 0.89 | CHRM1 (0.46) | BBOX1CHRM1CHRM3CHRM4CHRM2 | |
| Bicarbonate SCHEMBL717353 | 0.89 | BBOX1 (0.35) | BBOX1CHRM1CHRM3CHRM4CHRM2 | |
| Methoxyacetic Acid SCHEMBL17418265 | 0.88 | BBOX1 (0.48) | BBOX1CHRM1CHRM3CHRM4CHRM2 | |
| Butyric Acid SCHEMBL141251 | 0.87 | BBOX1 (0.56) | BBOX1CHRM1CHRM3CHRM4CHRM2 | |
| SCHEMBL272775 | 0.86 | CHRM1 (0.36) | BBOX1CHRM1CHRM3CHRM4CHRM2 | |
| Alanine SCHEMBL17418771 | 0.85 | BBOX1 (0.42) | BBOX1CHRM1CHRM3CHRM4CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117813334-A | Onium salt, blocking agent dissociation catalyst for blocking isocyanate, blocked isocyanate composition containing blocking agent dissociation catalyst, thermosetting resin composition, cured product, and method for producing same | 广荣化学株式会社 | 2024-04-02 | — | — | CN | disclosed |