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 | |
|---|---|---|---|---|
| ▸ | GSK3A known ✓ | P49840 | 1/20 | 0.31 |
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.64 |
| ▸ | F2 | P00734 | 3/20 | 0.36 |
| ▸ | F11 | P03951 | 3/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.31 |
| ▸ | CCNC | P24863 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 1/20 | 0.31 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.31 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.31 |
| ▸ | FLT4 | P35916 | 1/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23414888 | 0.81 | FFAR1 (0.74) | FFAR1F2F11PRSS1PRSS2 | |
| SCHEMBL23414658 | 0.80 | FFAR1 (0.68) | FFAR1F2F11PRSS1PRSS2 | |
| SCHEMBL20599451 | 0.79 | FFAR1 (0.70) | FFAR1F2F11PRSS1PRSS2 | |
| SCHEMBL304019 | 0.78 | FFAR1 (1.00) | FFAR1F11DGAT1LPLLIPG | |
| SCHEMBL25322449 | 0.77 | FFAR1 (0.53) | FFAR1F2F11PRSS1PRSS2 | |
| SCHEMBL17102302 | 0.77 | FFAR1 (0.59) | FFAR1F2F11PRSS1PRSS2 | |
| SCHEMBL9277388 | 0.76 | FFAR1 (0.74) | FFAR1F11DGAT1LPLLIPG | |
| SCHEMBL14746348 | 0.75 | FFAR1 (0.74) | FFAR1F11DGAT1LPLLIPG | |
| SCHEMBL12912195 | 0.75 | FFAR1 (0.61) | FFAR1F2F11PRSS1PRSS2 | |
| SCHEMBL2680105 | 0.75 | FFAR1 (0.61) | FFAR1F2F11PRSS1PRSS2 |
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-3134397-A1 | AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | Novartis AG (CH) | 2017-03-01 | — | — | EP | disclosed |
| WO-2015162459-A1 | AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2015-10-29 | — | — | WO | disclosed |