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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 SCHEMBL9047972 | 0.92 | KMT2A (0.57) | KMT2AGAAALDH1A1P2RX7CYP1A2 | |
| Bicarbonate SCHEMBL7620822 | 0.78 | ALDH1A1 (0.58) | KMT2AGAAALDH1A1P2RX7SMN1; SMN2 | |
| Bicarbonate SCHEMBL7618943 | 0.75 | ALDH1A1 (0.70) | KMT2AGAAALDH1A1P2RX7POLB | |
| Bicarbonate SCHEMBL7614611 | 0.74 | ALDH1A1 (0.61) | KMT2AGAAALDH1A1P2RX7SMN1; SMN2 | |
| Bicarbonate SCHEMBL7622730 | 0.73 | ALDH1A1 (0.67) | KMT2AGAAALDH1A1P2RX7POLB | |
| Bicarbonate SCHEMBL7615735 | 0.73 | ALDH1A1 (0.64) | KMT2AGAAALDH1A1P2RX7POLB | |
| Bicarbonate SCHEMBL7615138 | 0.72 | ALDH1A1 (0.66) | KMT2AGAAALDH1A1P2RX7SMN1; SMN2 | |
| Bicarbonate SCHEMBL7619621 | 0.72 | ALDH1A1 (0.66) | KMT2AGAAALDH1A1P2RX7POLB | |
| Bicarbonate SCHEMBL7618069 | 0.72 | ALDH1A1 (0.63) | KMT2AGAAALDH1A1P2RX7POLB | |
| Cyanide SCHEMBL27411534 | 0.70 | ALDH1A1 (0.54) | KMT2AGAAALDH1A1P2RX7POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0706527-A1 | SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS | BAYER AG (DE) | 1996-04-17 | — | — | EP | disclosed |