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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.37 |
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 SCHEMBL3702662 | 1.00 | ACHE (0.41) | ACHETHRBMAPTMEN1KMT2A | |
| Bicarbonate SCHEMBL3696349 | 0.89 | ACKR3 (0.36) | THRBACKR3CCR3 | |
| Bicarbonate SCHEMBL3698645 | 0.89 | ACKR3 (0.36) | THRBACKR3CCR3 | |
| SCHEMBL13660768 | 0.88 | THRB (0.40) | THRBMAPTMEN1KMT2AHDAC1 | |
| SCHEMBL3704735 | 0.88 | THRB (0.40) | THRBMAPTMEN1KMT2AHDAC1 | |
| SCHEMBL3702660 | 0.88 | THRB (0.40) | THRBMAPTMEN1KMT2AHDAC1 | |
| SCHEMBL3696153 | 0.86 | MEN1 (0.42) | THRBMAPTMEN1KMT2AHDAC1 | |
| SCHEMBL7602101 | 0.86 | MAPT (0.40) | THRBMAPTMEN1KMT2AHDAC1 | |
| SCHEMBL7606170 | 0.86 | MAPT (0.40) | THRBMAPTMEN1KMT2AHDAC1 | |
| Bicarbonate SCHEMBL3697242 | 0.83 | MAPT (0.46) | ACHETHRBMAPTMEN1KMT2A |
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 |