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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL5577148 | 1.00 | ALDH1A1 (0.45) | ALDH1A1THRBBLMPMP22NPSR1 | |
| Bicarbonate SCHEMBL9425333 | 1.00 | ALDH1A1 (0.45) | ALDH1A1THRBBLMPMP22NPSR1 | |
| Acetic Acid SCHEMBL28861257 | 0.94 | ALDH1A1 (0.45) | ALDH1A1THRBBLMPMP22NPSR1 | |
| Oxalic Acid SCHEMBL2173089 | 0.92 | ALDH1A1 (0.43) | ALDH1A1THRBBLMPMP22NPSR1 | |
| Acetone SCHEMBL28113495 | 0.91 | ALDH1A1 (0.47) | ALDH1A1THRBBLMPMP22NPSR1 | |
| Carbamic Acid SCHEMBL8556803 | 0.89 | ALDH1A1 (0.41) | ALDH1A1THRBBLMPMP22NPSR1 | |
| SCHEMBL7827565 | 0.87 | — | — | |
| SCHEMBL11123615 | 0.87 | ALDH1A1 (0.56) | ALDH1A1THRBBLMPMP22NPSR1 | |
| SCHEMBL11123616 | 0.87 | ALDH1A1 (0.56) | ALDH1A1THRBBLMPMP22NPSR1 | |
| SCHEMBL65570 | 0.87 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993004037-A1 | KETOXIME CARBONATES AND PROCESS FOR THEIR SYNTHESIS | ALLIED-SIGNAL INC. (US) | 1993-03-04 | — | — | WO | claimed |
| US-5276187-A | Ketoxime carbonates and process for the synthesis of ketoxime carbonates generally | ALLIEDSIGNAL INC. (US) | 1994-01-04 | — | — | US | disclosed |
| WO-1993004037-A1 | KETOXIME CARBONATES AND PROCESS FOR THEIR SYNTHESIS | ALLIED-SIGNAL INC. (US) | 1993-03-04 | — | — | WO | disclosed |