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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 3/20 | 0.37 |
| ▸ | BBOX1 | O75936 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL973334 | 0.93 | FFAR3 (0.38) | CA12CA9CA2FFAR3HDAC3 | |
| Bicarbonate SCHEMBL28173490 | 0.93 | FFAR3 (0.38) | CA12CA9CA2FFAR3HDAC3 | |
| Bicarbonate SCHEMBL3415283 | 0.93 | CA4 (0.39) | CA12CA9CA2FFAR3HDAC3 | |
| Bicarbonate SCHEMBL4871294 | 0.93 | FFAR3 (0.38) | CA12CA9CA2FFAR3HDAC3 | |
| Bicarbonate SCHEMBL4244537 | 0.93 | CA4 (0.39) | CA12CA9CA2FFAR3HDAC3 | |
| Bicarbonate SCHEMBL28836727 | 0.91 | CA12 (0.39) | CA12CA9CA2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL27362312 | 0.90 | CA1 (0.56) | CA12CA9CA2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL9319465 | 0.90 | CA1 (0.56) | CA12CA9CA2FFAR3HDAC3 | |
| Bicarbonate SCHEMBL3296887 | 0.90 | FFAR3 (0.41) | CA12CA9CA2FFAR3HDAC3 | |
| Acetic Acid SCHEMBL27839914 | 0.85 | CA1 (0.50) | CA12CA9CA2FFAR3HDAC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108676287-A | A kind of compound pdu wire harness sheaths material of polyphenylene oxide and preparation method thereof | 安徽艾伊德动力科技有限公司 | 2018-10-19 | — | — | CN | disclosed |
| US-4722929-A | Novel 2-phenyl-imidazoles and pharmaceutical compositions containing same | DR. KARL THOMAE GMBH (DE) | 1988-02-02 | — | — | US | disclosed |