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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | CTSK | P43235 | 1/20 | 0.51 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.50 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | HAO1 | Q9UJM8 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL6207408 | 0.91 | ALDH1A1 (0.52) | ALDH1A1MAPTSMN1; SMN2HSD11B1LMNA | |
| SCHEMBL30688051 | 0.91 | ALDH1A1 (0.59) | ALDH1A1MAPTSMN1; SMN2HSD11B1LMNA | |
| SCHEMBL1992931 | 0.91 | ALDH1A1 (0.59) | ALDH1A1MAPTSMN1; SMN2HSD11B1LMNA | |
| SCHEMBL30688049 | 0.91 | ALDH1A1 (0.59) | ALDH1A1MAPTSMN1; SMN2HSD11B1LMNA | |
| SCHEMBL1990897 | 0.91 | ALDH1A1 (0.59) | ALDH1A1MAPTSMN1; SMN2HSD11B1LMNA | |
| Glycolic Acid SCHEMBL2763037 | 0.90 | ALDH1A1 (0.61) | ALDH1A1MAPTSMN1; SMN2HSD11B1LMNA | |
| SCHEMBL2095118 | 0.89 | ALDH1A1 (0.56) | ALDH1A1MAPTSMN1; SMN2HSD11B1LMNA | |
| SCHEMBL11576463 | 0.88 | ALDH1A1 (0.67) | ALDH1A1MAPTSMN1; SMN2HSD11B1LMNA | |
| SCHEMBL23483176 | 0.85 | ALDH1A1 (0.55) | ALDH1A1MAPTSMN1; SMN2THRBCTSK | |
| SCHEMBL11179383 | 0.85 | ALDH1A1 (0.55) | ALDH1A1MAPTSMN1; SMN2HSD11B1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0233267-B1 | SMECTIC CRYSTAL PHASES | MERCK PATENT GMBH (DE) | 1994-08-03 | — | — | EP | disclosed |
| EP-0233267-A1 | SMECTIC CRYSTAL PHASES. | MERCK PATENT GMBH (DE) | 1987-08-26 | — | — | EP | disclosed |
| WO-1987001717-A2 | SMECTIC CYSTAL PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-03-26 | — | — | WO | disclosed |