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 | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 3/20 | 0.43 |
| ▸ | HTR1E | P28566 | 3/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CCR3 | P51677 | 1/20 | 0.39 |
| ▸ | ACKR3 | P25106 | 8/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 SCHEMBL3704666 | 0.90 | MAPT (0.46) | PTGESHTR1ES1PR3KMT2AMEN1 | |
| Bicarbonate SCHEMBL3697242 | 0.90 | MAPT (0.46) | PTGESHTR1ES1PR3KMT2AMEN1 | |
| Bicarbonate SCHEMBL3702982 | 0.89 | PTGES (0.43) | PTGESHTR1ES1PR3KMT2AMEN1 | |
| Bicarbonate SCHEMBL3705048 | 0.89 | PTGES (0.43) | PTGESHTR1ES1PR3KMT2AMEN1 | |
| Bicarbonate SCHEMBL3694313 | 0.89 | PTGES (0.43) | PTGESHTR1ES1PR3KMT2AMEN1 | |
| SCHEMBL3690988 | 0.89 | PTGES (0.42) | PTGESHTR1ES1PR3KMT2AMEN1 | |
| SCHEMBL7602933 | 0.87 | PTGES (0.41) | PTGESHTR1ES1PR3KMT2AMEN1 | |
| Bicarbonate SCHEMBL3705218 | 0.86 | PTGES (0.45) | PTGESHTR1ES1PR3KMT2AMEN1 | |
| SCHEMBL1178496 | 0.82 | PTGES (0.37) | PTGESHTR1ES1PR3KMT2AMEN1 | |
| SCHEMBL7601102 | 0.82 | PTGES (0.39) | PTGESHTR1ES1PR3KMT2AMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2268625-B1 | OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF | Bayer Pharma AG (DE) | 2012-05-16 | — | — | EP | disclosed |