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 | 5/20 | 0.52 |
| ▸ | CES2 | O00748 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | AKT1 | P31749 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
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 SCHEMBL1325151 | 0.97 | CES1 (0.55) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL8210944 | 0.91 | MEN1 (0.58) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL7930063 | 0.88 | MEN1 (0.61) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL26736 | 0.88 | MEN1 (0.61) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL3844822 | 0.88 | MEN1 (0.61) | CES1CES2TSHRALDH1A1DAO | |
| Benzene SCHEMBL28340939 | 0.88 | MEN1 (0.61) | CES1CES2TSHRALDH1A1DAO | |
| Benzene SCHEMBL9731493 | 0.88 | MEN1 (0.61) | CES1CES2TSHRALDH1A1DAO | |
| Urea SCHEMBL29290483 | 0.86 | MAPT (0.59) | CES1CES2TSHRALDH1A1DAO | |
| Acetone SCHEMBL21933501 | 0.86 | MEN1 (0.56) | CES1CES2TSHRALDH1A1DAO | |
| Acetic Acid SCHEMBL28857071 | 0.86 | MEN1 (0.56) | CES1CES2TSHRALDH1A1DAO |
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 |
|---|---|---|---|---|---|---|---|
| CN-106187780-A | A kind of diphenyl ethylene derivatives with nitric oxide donors and preparation method thereof | 山东省医学科学院药物研究所 | 2016-12-07 | — | — | CN | disclosed |