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 | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 5/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
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 SCHEMBL7565580 | 0.97 | LMNA (0.42) | ALOX5CYP2D6LMNAEPHX1HPGD | |
| Bicarbonate SCHEMBL5274866 | 0.88 | PLG (0.40) | ALOX5CYP2D6LMNAESR1ESR2 | |
| SCHEMBL5625 | 0.87 | — | — | |
| Acetic Acid SCHEMBL3477510 | 0.87 | LMNA (0.39) | ALOX5CYP2D6LMNAEPHX1HPGD | |
| SCHEMBL14306984 | 0.84 | ESR1 (0.40) | ALOX5CYP2D6EPHX1HPGDKMT2A | |
| SCHEMBL738125 | 0.84 | ESR1 (0.40) | ALOX5CYP2D6EPHX1HPGDKMT2A | |
| SCHEMBL13646378 | 0.84 | ESR1 (0.40) | ALOX5CYP2D6EPHX1HPGDKMT2A | |
| SCHEMBL13973760 | 0.84 | ESR1 (0.40) | ALOX5CYP2D6EPHX1HPGDKMT2A | |
| SCHEMBL22289146 | 0.84 | — | — | |
| SCHEMBL330190 | 0.84 | — | — |
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-0529022-A1 | NEW LEUKOTRIENE B 4? DERIVATIVES, METHOD FOR PREPARING THEM AND THEIR USE AS DRUGS. | SCHERING AG (DE) | 1993-03-03 | — | — | EP | disclosed |