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 | |
|---|---|---|---|---|
| ▸ | FLT3 | P36888 | 10/20 | 0.64 |
| ▸ | KIT | P10721 | 9/20 | 0.64 |
| ▸ | AURKA | O14965 | 2/20 | 0.64 |
| ▸ | EGFR | P00533 | 1/20 | 0.64 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.64 |
| ▸ | CDK1 | P06493 | 1/20 | 0.64 |
| ▸ | IGF1R | P08069 | 1/20 | 0.64 |
| ▸ | EPHA1 | P21709 | 1/20 | 0.64 |
| ▸ | CDK2 | P24941 | 1/20 | 0.64 |
| ▸ | BMX | P51813 | 1/20 | 0.64 |
| ▸ | JAK3 | P52333 | 1/20 | 0.64 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.64 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.64 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.64 |
| ▸ | SYK | P43405 | 3/20 | 0.59 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.55 |
| ▸ | PTK2 | Q05397 | 3/20 | 0.55 |
| ▸ | ULK1 | O75385 | 3/20 | 0.54 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.53 |
| ▸ | ULK2 | Q8IYT8 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL579262 | 0.98 | KIT (0.64) | FLT3KITAURKAEGFRNTRK1 | |
| SCHEMBL579261 | 0.91 | FLT3 (0.61) | FLT3KITAURKAEGFRNTRK1 | |
| SCHEMBL13808086 | 0.91 | FLT3 (0.61) | FLT3KITAURKAEGFRNTRK1 | |
| SCHEMBL579213 | 0.90 | FLT3 (0.61) | FLT3KITAURKAEGFRNTRK1 | |
| SCHEMBL12438917 | 0.90 | FLT3 (0.61) | FLT3KITAURKAEGFRNTRK1 | |
| SCHEMBL578941 | 0.89 | FLT3 (0.57) | FLT3KITAURKAEGFRNTRK1 | |
| SCHEMBL578940 | 0.89 | FLT3 (0.57) | FLT3KITAURKAEGFRNTRK1 | |
| SCHEMBL13808089 | 0.89 | PTK2 (0.58) | FLT3KITAURKAEGFRNTRK1 | |
| Bicarbonate SCHEMBL579271 | 0.88 | AURKA (0.71) | FLT3KITAURKAEGFRNTRK1 | |
| SCHEMBL13808170 | 0.88 | FLT3 (0.59) | FLT3KITAURKAEGFRNTRK1 |
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-2027107-B1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2012-02-15 | — | — | EP | disclosed |
| EP-1902037-B1 | 2,4-DIAMINO-PYRIMIDINES USED AS AURORA INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2009-09-02 | — | — | EP | disclosed |