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 | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 8/20 | 0.45 |
| ▸ | CES1 | P23141 | 5/20 | 0.45 |
| ▸ | CES2 | O00748 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 6/20 | 0.41 |
| ▸ | PPARD | Q03181 | 6/20 | 0.41 |
| ▸ | PPARA | Q07869 | 6/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TLR2 | O60603 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | FABP4 | P15090 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13303098 | 0.89 | DNM1 (0.48) | FAAHCES1CES2MEN1KMT2A | |
| SCHEMBL4239696 | 0.89 | DNM1 (0.48) | FAAHCES1CES2MEN1KMT2A | |
| SCHEMBL3337927 | 0.77 | TSHR (0.52) | MEN1KMT2AHSD17B10PPARGPPARD | |
| Trifluoroacetic Acid SCHEMBL4003101 | 0.75 | FAAH (0.50) | FAAHCES1CES2MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL15346407 | 0.75 | FAAH (0.50) | FAAHCES1CES2MEN1KMT2A | |
| Bicarbonate SCHEMBL28356729 | 0.75 | KDM5A (0.56) | MEN1KMT2AHSD17B10PPARGPPARD | |
| SCHEMBL816848 | 0.74 | LMNA (0.50) | MEN1KMT2AHSD17B10PPARGPPARD | |
| Hexadecane SCHEMBL25216545 | 0.74 | GPR84 (0.67) | CES1CES2MEN1KMT2AHSD17B10 | |
| Bicarbonate SCHEMBL3415308 | 0.74 | GPR84 (0.67) | CES1CES2MEN1KMT2AHSD17B10 | |
| Tetradecane SCHEMBL4614838 | 0.74 | GPR84 (0.67) | CES1CES2MEN1KMT2AHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2035131-A2 | FLUOROSURFACTANTS | Merck Patent GmbH (DE) | 2009-03-18 | — | — | EP | disclosed |
| WO-2008003446-A2 | FLUOROSURFACTANTS | MERCK PATENT GMBH (DE) | 2008-01-10 | — | — | WO | disclosed |