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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | GLA | P06280 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.32 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL11125677 | 0.86 | CYP1A2 (0.33) | CYP1A2KMT2AERBB2FYNMAOA | |
| Bicarbonate SCHEMBL11125272 | 0.84 | ALDH1A1 (0.40) | CYP1A2KMT2AERBB2FYNMAOA | |
| SCHEMBL1188389 | 0.83 | CYP1A2 (0.47) | CYP1A2KMT2AERBB2FYNMAOA | |
| SCHEMBL29386870 | 0.83 | CYP1A2 (0.47) | CYP1A2KMT2AERBB2FYNMAOA | |
| Bicarbonate SCHEMBL726360 | 0.82 | TYMS (0.43) | CYP1A2KMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL3660883 | 0.80 | HSD17B10 (0.41) | CYP1A2KMT2AERBB2FYNMAOA | |
| Biphenyl SCHEMBL22717168 | 0.79 | CYP1A2 (0.44) | CYP1A2KMT2AERBB2FYNMAOA | |
| SCHEMBL9153213 | 0.79 | GAA (0.37) | CYP1A2KMT2AERBB2FYNMAOA | |
| Bicarbonate SCHEMBL10975774 | 0.78 | KMT2A (0.35) | CYP1A2KMT2AERBB2FYNMAOA | |
| Bicarbonate SCHEMBL5017274 | 0.78 | AHR (0.35) | CYP1A2KMT2AERBB2FYNMAOA |
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-2283021-B1 | SWITCHABLE SPECIAL EFFECT SUBSTANCES | BASF SE (DE) | 2014-01-08 | — | — | EP | disclosed |
| EP-2283021-A2 | SWITCHABLE SPECIAL EFFECT SUBSTANCES | BASF SE (DE) | 2011-02-16 | — | — | EP | disclosed |
| WO-2009141288-A2 | SWITCHABLE SPECIAL EFFECT SUBSTANCES | BASF SE (DE) | 2009-11-26 | — | — | WO | disclosed |