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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.47 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3940663 | 0.84 | TP53 (0.59) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL3940656 | 0.84 | TP53 (0.59) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL9519498 | 0.81 | TP53 (0.55) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL9519814 | 0.79 | CES2 (0.61) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL22208457 | 0.78 | TP53 (0.58) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL7783945 | 0.77 | TP53 (0.67) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL10397774 | 0.77 | KMT2A (0.58) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL10397775 | 0.77 | KMT2A (0.58) | TP53ALDH1A1CES2CES1TSHR | |
| SCHEMBL10398904 | 0.77 | KMT2A (0.58) | TP53ALDH1A1CES2CES1TSHR | |
| Bicarbonate SCHEMBL9521636 | 0.76 | TSHR (0.43) | ALDH1A1CES2CES1TSHRMAPT |
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-0299379-B1 | PENTADIENAMIDE PAF-ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| EP-0299379-A1 | Pentadienamide PAF-antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1989-01-18 | — | — | EP | disclosed |