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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK8 | P45983 | 7/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MPI | P34949 | 1/20 | 0.40 |
| ▸ | RORC | P51449 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SCN2B | O60939 | 1/20 | 0.37 |
| ▸ | SCN1B | Q07699 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CD74 | P04233 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 SCHEMBL9044839 | 0.89 | HTR1A (0.38) | MAPK8ATMRORCCYP3A4CYP2C9 | |
| Bicarbonate SCHEMBL9046548 | 0.86 | PTGS1 (0.43) | MAPK8PTGS1PTGS2RORCMAPT | |
| Bicarbonate SCHEMBL9046542 | 0.83 | PTGS1 (0.41) | MAPK8PTGS1PTGS2RORCSCN2B | |
| Bicarbonate SCHEMBL9044272 | 0.80 | RORC (0.47) | RORCMAPTKDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL339069 | 0.79 | KDM4E (0.44) | PTGS1PTGS2RORCSCN2BSCN1B | |
| SCHEMBL14575936 | 0.78 | CAPN1 (0.53) | MAPK8ATM | |
| SCHEMBL9046000 | 0.77 | KDM4E (0.43) | MAPK8ATMMPITP53MAPT | |
| SCHEMBL14576338 | 0.74 | ATM (0.51) | MAPK8ATMMPIMAPTSCN2B | |
| SCHEMBL10593432 | 0.73 | GLA (0.35) | PTGS2ATM | |
| SCHEMBL16464113 | 0.72 | NR1I2 (0.43) | ATMTP53 |
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-0422485-B1 | Quinolone carboxylic acid derivatives, process for their preparation and their use | BAYER AG (DE) | 1996-04-03 | — | — | EP | disclosed |
| EP-0422485-A2 | Quinolone carboxylic acid derivatives, process for their preparation and their use | BAYER AG (DE) | 1991-04-17 | — | — | EP | disclosed |