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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 12/20 | 0.63 |
| ▸ | TAS1R1 | Q7RTX1 | 11/20 | 0.63 |
| ▸ | TAS1R2 | Q8TE23 | 10/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
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 SCHEMBL7620822 | 0.91 | ALDH1A1 (0.58) | TAS1R3TAS1R1TAS1R2KMT2ALMNA | |
| Bicarbonate SCHEMBL4423929 | 0.89 | TAS1R3 (0.54) | TAS1R3TAS1R1TAS1R2KMT2ALMNA | |
| Bicarbonate SCHEMBL7614072 | 0.78 | TAS1R3 (0.58) | TAS1R3TAS1R1TAS1R2KMT2ALMNA | |
| Bicarbonate SCHEMBL7612864 | 0.78 | KMT2A (0.80) | TAS1R3TAS1R1TAS1R2KMT2ALMNA | |
| Bicarbonate SCHEMBL7615814 | 0.77 | KMT2A (0.69) | TAS1R3TAS1R1TAS1R2KMT2ALMNA | |
| SCHEMBL702131 | 0.77 | TAS1R3 (1.00) | TAS1R3TAS1R1TAS1R2 | |
| Bicarbonate SCHEMBL8556440 | 0.77 | TAS1R3 (0.57) | TAS1R3TAS1R1TAS1R2LMNATSHR | |
| Bicarbonate SCHEMBL7616568 | 0.77 | TAS1R3 (0.62) | TAS1R3TAS1R1TAS1R2KMT2ATSHR | |
| Bicarbonate SCHEMBL7622727 | 0.76 | KMT2A (0.63) | KMT2ATSHRSIGMAR1 | |
| Bicarbonate SCHEMBL9047972 | 0.75 | KMT2A (0.57) | KMT2ASIGMAR1 |
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 |