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 | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 4/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 4/20 | 0.38 |
| ▸ | TAS1R2 | Q8TE23 | 4/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 SCHEMBL9044829 | 0.80 | LMNA (0.42) | GAAP2RX7HPGDLMNAPOLB | |
| Bicarbonate SCHEMBL8744851 | 0.79 | TAS1R3 (0.56) | TAS1R3TAS1R1TAS1R2EPHX2P2RX7 | |
| Bicarbonate SCHEMBL8744799 | 0.78 | KMT2A (0.49) | TAS1R3TAS1R1TAS1R2EPHX2HPGD | |
| Bicarbonate SCHEMBL8744732 | 0.77 | TAS1R3 (0.59) | TAS1R3TAS1R1TAS1R2EPHX2P2RX7 | |
| Bicarbonate SCHEMBL7616568 | 0.74 | TAS1R3 (0.62) | TAS1R3TAS1R1TAS1R2EPHX2HPGD | |
| Bicarbonate SCHEMBL7615552 | 0.73 | EPHX2 (0.46) | TAS1R3TAS1R1TAS1R2EPHX2GAA | |
| Bicarbonate SCHEMBL9043289 | 0.72 | KMT2A (0.57) | TAS1R3TAS1R1TAS1R2EPHX2GAA | |
| Bicarbonate SCHEMBL7624529 | 0.72 | TAS1R3 (0.43) | TAS1R3TAS1R1TAS1R2EPHX2GAA | |
| Bicarbonate SCHEMBL7615153 | 0.71 | KMT2A (0.42) | TAS1R3TAS1R1TAS1R2EPHX2P2RX7 | |
| Bicarbonate SCHEMBL7622402 | 0.70 | KMT2A (0.38) | TAS1R3TAS1R1TAS1R2EPHX2P2RX7 |
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 |