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 | 5/20 | 0.69 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.60 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.60 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.49 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.48 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.48 |
| ▸ | MERTK | Q12866 | 3/20 | 0.48 |
| ▸ | AXL | P30530 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.48 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.48 |
| ▸ | CDK2 | P24941 | 2/20 | 0.48 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.48 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3290820 | 0.86 | ADORA1 (0.61) | ADORA1ADORA2AADORA2BMAPK8CSNK2A2 | |
| SCHEMBL3290826 | 0.86 | ADORA1 (0.61) | ADORA1ADORA2AADORA2BMAPK8CSNK2A2 | |
| Bicarbonate SCHEMBL3920882 | 0.81 | ADORA1 (0.48) | ADORA1ADORA2AADORA2BMEN1KMT2A | |
| SCHEMBL3284135 | 0.79 | ADORA1 (0.53) | ADORA1ADORA2AADORA2BMAPK8CSNK2A2 | |
| SCHEMBL3284138 | 0.79 | ADORA1 (0.53) | ADORA1ADORA2AADORA2BMAPK8CSNK2A2 | |
| SCHEMBL6887143 | 0.77 | KDM4E (0.59) | ADORA1MERTKAXLFLT3TYRO3 | |
| SCHEMBL22313392 | 0.77 | ADORA1 (0.48) | ADORA1ADORA2AADORA2BCSNK2A2CSNK2B | |
| SCHEMBL19359659 | 0.77 | KDR (0.60) | ADORA1ADORA2AMERTKCDK2MAPT | |
| SCHEMBL6886534 | 0.76 | KDM4E (0.56) | ADORA1ADORA2AADORA2BMERTKAXL | |
| Bicarbonate SCHEMBL14837262 | 0.74 | ADORA1 (0.41) | ADORA1ADORA2AADORA2BCDK2MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2024340-B1 | 4,5-DIPHENYL-PYRIMIDINYL-AMINO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS | SANOFI SA (FR) | 2012-07-18 | — | — | EP | disclosed |
| EP-2024340-A1 | 4,5-DIPHENYL-PYRIMIDINYL-AMINO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS | Sanofi-Aventis (FR) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007131620-A1 | 4,5-DIPHENYL-PYRIMIDINYL-AMINO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS | SANOFI-AVENTIS (DE) | 2007-11-22 | — | — | WO | disclosed |