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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | GRM5 | P41594 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9093507 | 0.98 | MEN1 (0.58) | MEN1KMT2AEPHX2SIGMAR1GRM5 | |
| Bicarbonate SCHEMBL4428400 | 0.89 | MEN1 (0.70) | MEN1KMT2AEPHX2SIGMAR1CYP1A2 | |
| Bicarbonate SCHEMBL6998215 | 0.88 | MEN1 (0.57) | MEN1KMT2AEPHX2SIGMAR1CYP1A2 | |
| Bicarbonate SCHEMBL4428096 | 0.88 | KMT2A (0.72) | MEN1KMT2AEPHX2SIGMAR1CYP1A2 | |
| Bicarbonate SCHEMBL4434715 | 0.88 | KMT2A (0.72) | MEN1KMT2AEPHX2SIGMAR1CYP1A2 | |
| Bicarbonate SCHEMBL4432364 | 0.86 | MEN1 (0.57) | MEN1KMT2AEPHX2SIGMAR1SMN1; SMN2 | |
| Bicarbonate SCHEMBL7620040 | 0.86 | SIGMAR1 (0.55) | MEN1KMT2AEPHX2SIGMAR1HPGD | |
| Bicarbonate SCHEMBL4435168 | 0.86 | MEN1 (0.51) | MEN1KMT2AEPHX2SIGMAR1HPGD | |
| Bicarbonate SCHEMBL8555157 | 0.85 | NPC1 (0.45) | MEN1KMT2AEPHX2SIGMAR1HPGD | |
| Bicarbonate SCHEMBL4433274 | 0.83 | MEN1 (0.56) | MEN1KMT2ASIGMAR1GRM5HPGD |
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-0741700-B1 | 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS | BAYER CROPSCIENCE AG (DE) | 2009-10-07 | — | — | EP | disclosed |