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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | APLNR | P35414 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | STAT6 | P42226 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4357455 | 0.91 | FFAR3 (0.41) | FFAR3CYP2C19APLNRSMN1; SMN2ALDH1A1 | |
| SCHEMBL28218916 | 0.88 | FFAR3 (0.39) | FFAR3CYP2C19APLNRSMN1; SMN2ALDH1A1 | |
| Bicarbonate SCHEMBL2900014 | 0.87 | — | — | |
| Urea SCHEMBL1840880 | 0.85 | ALDH1A1 (0.43) | FFAR3CYP2C19SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL18736277 | 0.84 | FFAR3 (0.62) | FFAR3CYP2C19APLNRSMN1; SMN2ALDH1A1 | |
| SCHEMBL14454696 | 0.84 | FFAR3 (0.62) | FFAR3CYP2C19APLNRSMN1; SMN2ALDH1A1 | |
| SCHEMBL13457323 | 0.84 | FFAR3 (0.62) | FFAR3CYP2C19APLNRSMN1; SMN2ALDH1A1 | |
| Methyl Alcohol SCHEMBL8444575 | 0.83 | ALDH1A1 (0.32) | SMN1; SMN2ALDH1A1 | |
| Cyclopentane SCHEMBL9453154 | 0.83 | — | — | |
| SCHEMBL936708 | 0.83 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1114020-B1 | Method of preparation of branched oligoester and non-emissive uretdione polyisocyanate based powder coatings | EASTMAN CHEM CO (US) | 2004-08-25 | — | — | EP | claimed |
| EP-1114101-B1 | POWDER COATINGS BASED ON BRANCHED OLIGOESTERS AND TRIAZOLE BLOCKED POLYISOCYANATES | EASTMAN CHEM CO (US) | 2004-04-14 | — | — | EP | claimed |