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 | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.38 |
| ▸ | IGFBP3 | P17936 | 1/20 | 0.38 |
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 SCHEMBL8740961 | 1.00 | ADRB2 (0.50) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL4298647 | 0.92 | ADRB2 (0.56) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL29711020 | 0.92 | ADRB2 (0.56) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL382030 | 0.92 | ADRB2 (0.56) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL7468533 | 0.92 | ADRB2 (0.56) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL8771196 | 0.81 | ADRB2 (0.50) | ADRB2ADRB1AOC3CYP2D6NFKB1 | |
| SCHEMBL23886595 | 0.77 | MEN1 (0.51) | ADRB2ADRB1AOC3ACP3CASP1 | |
| SCHEMBL7812432 | 0.77 | MEN1 (0.51) | ADRB2ADRB1AOC3ACP3CASP1 | |
| SCHEMBL30370919 | 0.77 | MEN1 (0.51) | ADRB2ADRB1AOC3ACP3CASP1 | |
| SCHEMBL23886599 | 0.77 | MEN1 (0.51) | ADRB2ADRB1AOC3ACP3CASP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5698588-A | OPTICALLY PURE ENANTIOMERIC FORM; TREATING CENTRAL NERVOUS SYSTEM DISORDERS | YUKONG LIMITED (KR) | 1997-12-16 | — | — | US | disclosed |