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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.42 |
| ▸ | PTAFR | P25105 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 SCHEMBL9520333 | 1.00 | CES2 (0.50) | CES2CES1PARP1HDAC1HDAC6 | |
| Bicarbonate SCHEMBL9520670 | 0.89 | NPC1 (0.58) | CES2CES1PARP1KMT2AMEN1 | |
| Bicarbonate SCHEMBL9519523 | 0.89 | NPC1 (0.58) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL10397905 | 0.82 | CES2 (0.52) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL3938710 | 0.82 | CES2 (0.52) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL3938716 | 0.82 | CES2 (0.52) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL10521631 | 0.82 | NPC1 (0.56) | CES2CES1PARP1PTAFRNPC1 | |
| SCHEMBL10521625 | 0.82 | NPC1 (0.56) | CES2CES1PARP1PTAFRNPC1 | |
| Bicarbonate SCHEMBL9521030 | 0.81 | TSHR (0.43) | CES2CES1PARP1KMT2AMEN1 | |
| Bicarbonate SCHEMBL9521636 | 0.81 | TSHR (0.43) | CES2CES1PARP1KMT2AMEN1 |
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-0299379-B1 | PENTADIENAMIDE PAF-ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| EP-0299379-A1 | Pentadienamide PAF-antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1989-01-18 | — | — | EP | disclosed |