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 | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.44 |
| ▸ | PPARG | P37231 | 7/20 | 0.44 |
| ▸ | PPARD | Q03181 | 7/20 | 0.44 |
| ▸ | PPARA | Q07869 | 7/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.44 |
| ▸ | TLR2 | O60603 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | FABP4 | P15090 | 2/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL108471 | 0.89 | — | — | |
| Urea SCHEMBL29201494 | 0.87 | CES1 (0.48) | CES1CES2ALDH1A1AKR1B1TP53 | |
| Hexane SCHEMBL27795696 | 0.86 | CES1 (0.43) | CES1CES2ALDH1A1AKR1B1TP53 | |
| Bromide SCHEMBL29220362 | 0.86 | — | — | |
| Acetic Acid SCHEMBL9871794 | 0.85 | GPR84 (0.58) | CES1CES2ALDH1A1AKR1B1GPR84 | |
| SCHEMBL55800 | 0.80 | — | — | |
| SCHEMBL4469751 | 0.80 | — | — | |
| Phthalic Acid SCHEMBL30901558 | 0.78 | KDM4E (0.55) | CES1CES2ALDH1A1TSHRTDP1 | |
| SCHEMBL22986932 | 0.78 | CES2 (0.50) | CES1CES2ALDH1A1GPR84PPARG | |
| SCHEMBL18972927 | 0.78 | CES2 (0.50) | CES1CES2ALDH1A1GPR84PPARG |
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-0298034-A2 | Substituted anthraquinones and their use in epoxy resins | CIBA-GEIGY AG (CH) | 1989-01-04 | — | — | EP | disclosed |