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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 11/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9412939 | 0.92 | NISCH (0.59) | NISCHKDM4ECYP1A2ALDH1A1CYP3A4 | |
| Bicarbonate SCHEMBL9375006 | 0.72 | NISCH (0.52) | NISCHACHE | |
| Pyridazine SCHEMBL9410824 | 0.71 | NISCH (0.44) | NISCHACHE | |
| SCHEMBL1345182 | 0.68 | NISCH (1.00) | NISCHKDM4ECYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL1836133 | 0.67 | KDM4E (0.61) | NISCHKDM4EALDH1A1CYP3A4ALOX15 | |
| SCHEMBL9195272 | 0.67 | NISCH (0.53) | NISCHKDM4ECYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL7279147 | 0.67 | P4HA1 (0.58) | NISCHKDM4ECYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL1526540 | 0.66 | NISCH (0.60) | NISCH | |
| SCHEMBL105024 | 0.65 | NISCH (1.00) | NISCHCYP1A2ALDH1A1LMNA | |
| SCHEMBL1456807 | 0.65 | GOT1 (0.46) | KDM4ECYP1A2ALDH1A1ALOX15LMNA |
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-0595011-A1 | Imidazolinyl-pyridazides, their use as herbicides | BAYER AG (DE) | 1994-05-04 | — | — | EP | disclosed |