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 | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4324530 | 0.83 | CYP1A2 (0.47) | AHRCYP1A2KMT2AMAOAERBB2 | |
| SCHEMBL29500996 | 0.83 | CYP1A2 (0.47) | AHRCYP1A2KMT2AMAOAERBB2 | |
| Bicarbonate SCHEMBL726360 | 0.82 | TYMS (0.43) | CYP1A2KMT2AMEN1ALDH1A1HPGD | |
| Bicarbonate SCHEMBL1128136 | 0.78 | CYP1A2 (0.35) | AHRCYP1A2KMT2AMAOAERBB2 | |
| Bicarbonate SCHEMBL10975774 | 0.78 | KMT2A (0.35) | AHRCYP1A2KMT2AMAOAERBB2 | |
| Bicarbonate SCHEMBL11125677 | 0.76 | CYP1A2 (0.33) | AHRCYP1A2KMT2AMAOAERBB2 | |
| Bicarbonate SCHEMBL11125272 | 0.75 | ALDH1A1 (0.40) | AHRCYP1A2KMT2AMAOAERBB2 | |
| SCHEMBL2588631 | 0.74 | TYMS (0.50) | AHRCYP1A2KMT2AMAOAERBB2 | |
| Bicarbonate SCHEMBL7451205 | 0.71 | TYMS (0.41) | CYP1A2MAOAALDH1A1HPGDHSD17B10 | |
| Bicarbonate SCHEMBL3836308 | 0.71 | CYP1A2 (0.55) | AHRCYP1A2KMT2AMAOAERBB2 |
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-1987092-B1 | FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF | BASF SE (DE) | 2013-05-22 | — | — | EP | disclosed |
| EP-1987092-A1 | FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF | BASF SE (DE) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093643-A1 | FLUORINATED RYLENETETRACARBOXYLIC ACID DERIVATIVES AND USE THEREOF | BASF SE (DE) | 2007-08-23 | — | — | WO | disclosed |