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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | HBB | P68871 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 3/20 | 0.36 |
| ▸ | CES1 | P23141 | 3/20 | 0.36 |
| ▸ | CPA1 | P15085 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 4/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28197124 | 0.97 | ALDH1A1 (0.52) | ALDH1A1MEN1LMNABLMHBB | |
| Acetic Acid SCHEMBL10738465 | 0.92 | ALDH1A1 (0.52) | ALDH1A1MEN1LMNABLMHBB | |
| Methyl Alcohol SCHEMBL11236519 | 0.88 | — | — | |
| SCHEMBL195349 | 0.88 | — | — | |
| Bicarbonate SCHEMBL283030 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MEN1LMNABLMHBB | |
| Bicarbonate SCHEMBL283031 | 0.86 | ALDH1A1 (0.52) | ALDH1A1MEN1LMNABLMHBB | |
| Alcohol SCHEMBL11230369 | 0.86 | — | — | |
| Bromide SCHEMBL28182936 | 0.85 | — | — | |
| Fluoride SCHEMBL27456165 | 0.85 | — | — | |
| Nitroethane SCHEMBL8493482 | 0.78 | TSHR (0.61) | ALDH1A1MEN1LMNABLMHBB |
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-1199339-B1 | Water-reducible coating composition for providing corrosion protection | METAL COATINGS INT INC (US) | 2004-12-29 | — | — | EP | claimed |