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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.45 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 SCHEMBL8744799 | 0.94 | KMT2A (0.49) | EPHX2TAS1R3TAS1R1TAS1R2KMT2A | |
| Bicarbonate SCHEMBL6996121 | 0.90 | GAA (0.55) | EPHX2GAATAS1R3TAS1R1TAS1R2 | |
| Bicarbonate SCHEMBL8744851 | 0.88 | TAS1R3 (0.56) | EPHX2TAS1R3TAS1R1TAS1R2KMT2A | |
| Bicarbonate SCHEMBL8744732 | 0.87 | TAS1R3 (0.59) | EPHX2TAS1R3TAS1R1TAS1R2KMT2A | |
| Bicarbonate SCHEMBL6989679 | 0.86 | GAA (0.51) | EPHX2GAATAS1R3TAS1R1TAS1R2 | |
| Bicarbonate SCHEMBL7615153 | 0.86 | KMT2A (0.42) | EPHX2TAS1R3TAS1R1TAS1R2KMT2A | |
| Bicarbonate SCHEMBL7617866 | 0.85 | KMT2A (0.41) | EPHX2TAS1R3TAS1R1TAS1R2KMT2A | |
| Bicarbonate SCHEMBL7622402 | 0.85 | KMT2A (0.38) | EPHX2TAS1R3TAS1R1TAS1R2KMT2A | |
| Bicarbonate SCHEMBL7622155 | 0.85 | EPHX1 (0.43) | EPHX2TAS1R3TAS1R1TAS1R2KMT2A | |
| Bicarbonate SCHEMBL7624529 | 0.83 | TAS1R3 (0.43) | EPHX2GAATAS1R3TAS1R1TAS1R2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0596298-B1 | 5-Spirosubstituted 1-H-3-aryl-pyrrolidin-2,4-dione derivatives as herbicides, insecticides and acaricides | BAYER AG (DE) | 2002-01-09 | — | — | EP | disclosed |
| EP-0596298-A2 | 5-Spirosubstituted 1-H-3-aryl-pyrrolidin-2,4-dione derivatives as herbicides, insecticides and acaricides | BAYER AG (DE) | 1994-05-11 | — | — | EP | disclosed |