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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PYGL | P06737 | 1/20 | 0.36 |
| ▸ | PYGM | P11217 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10647393 | 0.84 | KMO (0.45) | SMYD3CRBNMEN1KMT2APYGL | |
| Bicarbonate SCHEMBL10764464 | 0.81 | SMYD3 (0.55) | SMYD3CRBN | |
| SCHEMBL29003174 | 0.80 | SMYD3 (0.38) | SMYD3CRBNMEN1KMT2APYGL | |
| Bicarbonate SCHEMBL11126587 | 0.79 | GSK3B (0.52) | SMYD3CRBNKDM4EMAPT | |
| Bicarbonate SCHEMBL11124451 | 0.77 | SMYD3 (0.55) | SMYD3 | |
| Bicarbonate SCHEMBL10765181 | 0.76 | SMYD3 (0.53) | SMYD3CRBN | |
| SCHEMBL10760242 | 0.76 | GSK3B (0.54) | SMYD3CRBNGRM1KDM4EMAPT | |
| SCHEMBL1347544 | 0.74 | BRD4 (0.49) | CRBNMEN1KMT2AMAPTPOLB | |
| SCHEMBL5776045 | 0.74 | SMYD3 (0.58) | SMYD3 | |
| Bicarbonate SCHEMBL10760544 | 0.72 | SMYD3 (0.53) | SMYD3 |
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-0220519-A2 | Use of a 2-aryl-3,4-diaza-bicyclo[4.n.O]alk-2-en-5-one in the preparation of a medicament for the treatment of cardiac insufficiency | BASF Aktiengesellschaft (DE) | 1987-05-06 | — | — | EP | disclosed |