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 | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 4/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | BUB1 | O43683 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| Butane SCHEMBL28914542 | 0.96 | TGFBR1 (0.39) | TGFBR1CDK9PTGS1ALOX5PDE3B | |
| Bicarbonate SCHEMBL28606952 | 0.84 | USP30 (0.36) | TGFBR1CDK9PTGS1ALOX5BUB1 | |
| SCHEMBL25635442 | 0.79 | GRM2 (0.37) | TGFBR1CDK9 | |
| SCHEMBL24031008 | 0.78 | DYRK1A (0.37) | TGFBR1CDK9BUB1 | |
| SCHEMBL30161365 | 0.78 | DYRK1A (0.37) | TGFBR1CDK9BUB1 | |
| SCHEMBL24035547 | 0.75 | TGFBR1 (0.36) | TGFBR1CDK9BUB1 | |
| SCHEMBL24031011 | 0.74 | SYK (0.35) | CDK9BUB1 | |
| SCHEMBL30161692 | 0.74 | SYK (0.35) | CDK9BUB1 | |
| SCHEMBL28960978 | 0.71 | CDK9 (0.56) | CDK9 | |
| SCHEMBL30161747 | 0.71 | CDK9 (0.56) | CDK9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115340555-A | Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof | 苏州阿尔脉生物科技有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-113173924-B | Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof | 苏州阿尔脉生物科技有限公司 | 2022-07-19 | — | — | CN | disclosed |
| CN-113173924-A | Pyridine acetamide derivative as CDK inhibitor, and preparation method and application thereof | 苏州阿尔脉生物科技有限公司 | 2021-07-27 | — | — | CN | disclosed |