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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.32 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8767515 | 0.90 | CYP1A2 (0.34) | — | |
| SCHEMBL6963646 | 0.90 | CYP1A2 (0.34) | — | |
| SCHEMBL9507258 | 0.90 | CYP1A2 (0.34) | — | |
| SCHEMBL2301263 | 0.90 | CYP1A2 (0.34) | — | |
| SCHEMBL9306373 | 0.90 | CYP1A2 (0.34) | — | |
| SCHEMBL10896656 | 0.88 | CYP1A2 (0.31) | — | |
| Bicarbonate SCHEMBL10356395 | 0.84 | GRIK1 (0.35) | EPHX1KDM4EALDH1A1GRIK1MAPT | |
| SCHEMBL11453224 | 0.83 | — | — | |
| SCHEMBL4551020 | 0.83 | — | — | |
| SCHEMBL4695004 | 0.83 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0168683-B1 | LIQUID CRYSTALS WITH ALKENYL OR ALKENYLOXY GROUPS | F. HOFFMANN-LA ROCHE AG (CH) | 1990-11-28 | — | — | EP | disclosed |
| EP-0172360-B1 | CYCLOHEXANECARBONITRILES AND THEIR USE AS COMPONENTS FOR LIQUID CRYSTALS | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1988-11-09 | — | — | EP | disclosed |
| EP-0122389-B1 | LIQUID CRYSTAL COMPONENTS HAVING AN ALKENYL CHAIN | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1987-08-05 | — | — | EP | disclosed |
| EP-0172360-A2 | Cyclohexanecarbonitriles and their use as components for liquid crystals | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1986-02-26 | — | — | EP | disclosed |
| EP-0122389-A2 | Liquid crystal components having an alkenyl chain | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-10-24 | — | — | EP | disclosed |