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 | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.58 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.58 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.58 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.53 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CDC25B | P30305 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 4/20 | 0.49 |
| ▸ | PPARA | Q07869 | 4/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
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 SCHEMBL27535643 | 0.98 | NR4A1 (0.56) | NR4A1NR4A2NR4A3MCL1ACMSD | |
| Carbamic Acid SCHEMBL31151006 | 0.91 | ALOX5 (0.54) | NR4A1NR4A2NR4A3MCL1ACMSD | |
| Bicarbonate SCHEMBL27989801 | 0.89 | HDAC8 (0.53) | NR4A1NR4A2NR4A3MCL1ACMSD | |
| Benzene SCHEMBL28202246 | 0.89 | ALDH1A1 (0.56) | NR4A1NR4A2NR4A3TDP1KDM4E | |
| Bicarbonate SCHEMBL27850284 | 0.89 | HDAC8 (0.61) | NR4A1NR4A2NR4A3MCL1ACMSD | |
| SCHEMBL25302086 | 0.87 | ALDH1A1 (0.59) | TDP1KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL27953 | 0.87 | ALDH1A1 (0.59) | TDP1KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL29350007 | 0.87 | ALDH1A1 (0.59) | TDP1KDM4EALDH1A1HPGDCYP1A2 | |
| Bicarbonate SCHEMBL14250780 | 0.86 | HDAC8 (0.49) | NR4A1NR4A2NR4A3MCL1ACMSD | |
| Phosphoric Acid SCHEMBL547015 | 0.85 | ACP3 (0.55) | NR4A1NR4A2NR4A3MCL1ACMSD |
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-0000125-A1 | Tensio-active esters of phosphoric acid and their utilisation | BAYER AG (DE) | 1979-01-10 | — | — | EP | disclosed |