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 | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Urea SCHEMBL27659773 | 0.92 | TP53 (0.44) | TP53CYP1A2GAAADORA3ADORA1 | |
| SCHEMBL9438 | 0.91 | CYP1A2 (0.48) | TP53CYP1A2GAAADORA1ADORA2A | |
| Ammonia Solution, Strong SCHEMBL29843017 | 0.89 | CYP1A2 (0.47) | TP53CYP1A2GAAADORA1ADORA2A | |
| SCHEMBL28309054 | 0.89 | CYP1A2 (0.47) | TP53CYP1A2GAAADORA1ADORA2A | |
| Phosphine SCHEMBL28114703 | 0.89 | CYP1A2 (0.47) | TP53CYP1A2GAAADORA1ADORA2A | |
| SCHEMBL842040 | 0.89 | CYP1A2 (0.47) | TP53CYP1A2GAAADORA1ADORA2A | |
| SCHEMBL31519384 | 0.89 | CYP1A2 (0.47) | TP53CYP1A2GAAADORA1ADORA2A | |
| SCHEMBL30636164 | 0.89 | CYP1A2 (0.47) | TP53CYP1A2GAAADORA1ADORA2A | |
| SCHEMBL514705 | 0.89 | CYP1A2 (0.47) | TP53CYP1A2GAAADORA1ADORA2A | |
| Benzophenone SCHEMBL17224646 | 0.89 | ALDH1A1 (0.50) | TP53CYP1A2GAAADORA3ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001043546-A2 | COMBINATIONS OF HERBICIDAL ALKYLAZINES AND SAFENERS | AVENTIS CROPSCIENCE GMBH (DE) | 2001-06-21 | — | — | WO | claimed |
| WO-2001043546-A2 | COMBINATIONS OF HERBICIDAL ALKYLAZINES AND SAFENERS | AVENTIS CROPSCIENCE GMBH (DE) | 2001-06-21 | — | — | WO | disclosed |
| EP-0269806-A1 | Phenylpyrazole carbonic acid derivatives, their preparation and use as plant growth regulators and antidotes | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-06-08 | — | — | EP | disclosed |