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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 1/20 | 0.58 |
| ▸ | PTAFR | P25105 | 13/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 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 SCHEMBL9520704 | 1.00 | TBXAS1 (0.58) | TBXAS1PTAFRKMT2ACYP1A1CYP1A2 | |
| SCHEMBL10398993 | 0.88 | PTAFR (0.60) | TBXAS1PTAFRKMT2ACYP1A1CYP1A2 | |
| SCHEMBL10398977 | 0.88 | PTAFR (0.60) | TBXAS1PTAFRKMT2ACYP1A1CYP1A2 | |
| SCHEMBL10398976 | 0.88 | PTAFR (0.60) | TBXAS1PTAFRKMT2ACYP1A1CYP1A2 | |
| Bicarbonate SCHEMBL9523143 | 0.87 | CES2 (0.57) | KMT2ACYP1B1RAB9A | |
| Bicarbonate SCHEMBL9522412 | 0.87 | CES2 (0.57) | KMT2ACYP1B1RAB9A | |
| Bicarbonate SCHEMBL9521353 | 0.85 | CA1 (0.53) | KMT2ACYP1B1RAB9A | |
| SCHEMBL9519210 | 0.84 | TBXAS1 (0.61) | TBXAS1PTAFRKMT2A | |
| SCHEMBL9520702 | 0.84 | TBXAS1 (0.61) | TBXAS1PTAFRKMT2A | |
| SCHEMBL10398227 | 0.84 | PTAFR (0.62) | TBXAS1PTAFRKMT2ACYP1A1CYP1A2 |
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 |