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 | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | KDM4A | O75164 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7074849 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL22691758 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL27535362 | 0.85 | — | — | |
| Bicarbonate SCHEMBL15573951 | 0.76 | MMP1 (0.37) | MMP1MMP2MMP3MMP9MMP8 | |
| Acetic Acid SCHEMBL19643482 | 0.74 | MMP1 (0.36) | MMP1MMP2MMP3MMP9MMP8 | |
| Bicarbonate SCHEMBL10417916 | 0.72 | CTSD (0.36) | MMP1MMP2MMP3MMP9MMP8 | |
| Acetic Acid SCHEMBL6760889 | 0.71 | NPSR1 (0.46) | MMP1MMP2MMP3MMP9MMP8 | |
| Acetic Acid SCHEMBL102216 | 0.71 | FFAR3 (0.44) | MMP1MMP2MMP3MMP9MMP8 | |
| Acetone SCHEMBL28304557 | 0.71 | CYP2D6 (0.43) | MMP1MMP2MMP3MMP9MMP8 | |
| SCHEMBL19302932 | 0.70 | — | — |
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-108201773-A | A kind of method that volatile organic matter in reversible solvent absorption gas can be switched using hydrophily | 昆明理工大学 | 2018-06-26 | — | — | CN | disclosed |