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 | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | KIF11 | P52732 | 3/20 | 0.50 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.48 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.46 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.44 |
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 SCHEMBL27817573 | 1.00 | CYP2C9 (0.59) | CYP2C9KIF11PTPN5NPC1RAB9A | |
| SCHEMBL20806535 | 0.90 | KIF11 (0.59) | CYP2C9KIF11PTPN5RXRARXRB | |
| Bicarbonate SCHEMBL27636738 | 0.87 | CYP1A2 (0.52) | MAPTTSHRKMT2ACYP1A2ALDH1A1 | |
| SCHEMBL2701662 | 0.87 | KIF11 (0.62) | CYP2C9KIF11PTPN5NPC1RAB9A | |
| SCHEMBL11822974 | 0.87 | KIF11 (0.55) | CYP2C9KIF11PTPN5MAPTTSHR | |
| Bicarbonate SCHEMBL27587346 | 0.84 | CYP2C9 (0.57) | CYP2C9KIF11PTPN5RAB9ARXRA | |
| Bicarbonate SCHEMBL27490121 | 0.84 | CYP2C9 (0.57) | CYP2C9KIF11PTPN5RAB9ARXRA | |
| Tannin Pyrogallol SCHEMBL10431034 | 0.82 | ALDH1A1 (0.64) | CYP2C9NPC1RAB9ACTDSP1MAPT | |
| SCHEMBL23484444 | 0.81 | MMP3 (0.64) | CYP2C9KIF11RAB9AMAPTLMNA | |
| SCHEMBL28212104 | 0.81 | MMP3 (0.64) | CYP2C9KIF11RAB9AMAPTLMNA |
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-104540890-A | Products with improved non-flammability | BAYER MATERIALSCIENCE AG | 2015-04-22 | — | — | CN | disclosed |