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 | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 6/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14422894 | 0.90 | PARP10 (0.43) | ADORA1ADORA2AALDH1A1LMNAMKNK1 | |
| SCHEMBL3281778 | 0.84 | MKNK1 (0.41) | ADORA1ADORA2AALDH1A1MKNK1FFAR4 | |
| Bicarbonate SCHEMBL14837386 | 0.81 | MAPK8 (0.48) | ADORA1ADORA2AALDH1A1MEN1KMT2A | |
| Bicarbonate SCHEMBL3908301 | 0.74 | ADORA1 (0.69) | ADORA1ADORA2ACDK2NTRK1ALDH1A1 | |
| Bicarbonate SCHEMBL3920882 | 0.72 | ADORA1 (0.48) | ADORA1ADORA2AALDH1A1MEN1KMT2A | |
| SCHEMBL3289886 | 0.72 | DGAT1 (0.43) | ADORA1ADORA2AALDH1A1 | |
| SCHEMBL3285910 | 0.70 | VCP (0.39) | ADORA1ADORA2AMEN1KMT2AFFAR4 | |
| SCHEMBL3285905 | 0.70 | VCP (0.39) | ADORA1ADORA2AMEN1KMT2AFFAR4 | |
| SCHEMBL3285909 | 0.70 | VCP (0.39) | ADORA1ADORA2AMEN1KMT2AFFAR4 | |
| SCHEMBL4767772 | 0.68 | HPGD (0.44) | CDK2CDK4CDK7CDK9CCNB2 |
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-2024339-B1 | 4,5-DIPHENYL-PYRIMIDINYL-OXY OR -MERCAPTO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS | SANOFI SA (FR) | 2013-04-10 | — | — | EP | disclosed |