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 | 7/20 | 0.54 |
| ▸ | SRC | P12931 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21310 | 0.98 | CES1 (0.56) | CES1SRCTSHRCES2ALDH1A1 | |
| SCHEMBL9105008 | 0.98 | CES1 (0.56) | CES1SRCTSHRCES2ALDH1A1 | |
| SCHEMBL11500171 | 0.95 | CES1 (0.54) | CES1SRCTSHRCES2ALDH1A1 | |
| Hydrogen Sulfide SCHEMBL11500168 | 0.95 | CES1 (0.54) | CES1SRCTSHRCES2ALDH1A1 | |
| Formaldehyde SCHEMBL28986972 | 0.93 | CES1 (0.52) | CES1SRCTSHRCES2ALDH1A1 | |
| Benzil SCHEMBL28045768 | 0.91 | CES1 (0.61) | CES1SRCTSHRCES2ALDH1A1 | |
| Benzophenone SCHEMBL22829712 | 0.91 | ALDH1A1 (0.61) | CES1SRCALDH1A1TDP1MAPT | |
| Propane SCHEMBL28155921 | 0.91 | CES1 (0.50) | CES1SRCTSHRCES2ALDH1A1 | |
| SCHEMBL10945073 | 0.89 | CES1 (0.62) | CES1SRCCES2MAPTSMN1; SMN2 | |
| SCHEMBL10941702 | 0.89 | ALDH1A1 (0.58) | CES1SRCALDH1A1TDP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20080258345-A1 | Liquid Radiation-Curing Compositions | STIFTUNG CAESAR (DE) | 2008-10-23 | — | — | US | disclosed |