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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.37 |
| ▸ | SPR | P35270 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.36 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.36 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.36 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19692848 | 0.92 | AKR1C3 (0.44) | AKR1C3HTR6PKMKCNH2HSD17B1 | |
| SCHEMBL29650327 | 0.92 | AKR1C3 (0.44) | AKR1C3HTR6PKMKCNH2HSD17B1 | |
| SCHEMBL19707178 | 0.85 | DRD2 (0.47) | AKR1C3HTR6PKMHSD17B1HSD17B2 | |
| SCHEMBL19707128 | 0.85 | DRD2 (0.44) | AKR1C3HTR6PKMHSD17B1HSD17B2 | |
| SCHEMBL21225183 | 0.73 | AKR1C3 (0.71) | AKR1C3CA2 | |
| SCHEMBL31192547 | 0.73 | AKR1C3 (0.71) | AKR1C3CA2 | |
| SCHEMBL518863 | 0.73 | LMNA (0.50) | PKMKCNH2CA2MMP2 | |
| SCHEMBL29503180 | 0.72 | ALDH1A1 (0.56) | AKR1C3KCNH2DRD2 | |
| Resorcinol SCHEMBL8053032 | 0.72 | ALDH1A1 (0.67) | HSD17B1HSD17B2CA2 | |
| Resorcinol SCHEMBL8053030 | 0.72 | ALDH1A1 (0.67) | HSD17B1HSD17B2CA2 |
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-109563103-A | modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto | 艾尼纳制药公司 | 2019-04-02 | — | — | CN | disclosed |