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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15898194 | 0.91 | HSD17B10 (0.30) | TDP1HSD17B10 | |
| SCHEMBL21361694 | 0.82 | CES2 (0.43) | TDP1HSD17B10ALDH1A1THRB | |
| SCHEMBL31417778 | 0.81 | CDK1 (0.30) | — | |
| SCHEMBL9704541 | 0.78 | HSD17B10 (0.35) | TDP1HSD17B10 | |
| SCHEMBL626053 | 0.77 | — | — | |
| SCHEMBL608739 | 0.75 | — | — | |
| SCHEMBL10482008 | 0.74 | HSD17B10 (0.32) | TDP1HSD17B10GPR174 | |
| SCHEMBL15136484 | 0.73 | TET2 (0.35) | HSD17B10GPR174 | |
| Bicarbonate SCHEMBL10866448 | 0.72 | — | — | |
| Bicarbonate SCHEMBL10179587 | 0.72 | FFAR3 (0.50) | TDP1HSD17B10FFAR3ALDH1A1 |
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-104744426-A | Structure, synthesis and use of 2-ethyle-2-allyloxymethyl-1,3-propylene carbonate | CHANGZHOU HIGH TECH RES INST OF NANJING UNIVERSITY | 2015-07-01 | — | — | CN | disclosed |