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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | NT5E | P21589 | 3/20 | 0.36 |
| ▸ | ADCY5 | O95622 | 9/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL239530 | 0.78 | LMNA (0.39) | LMNATP53ALDH1A1MAPTTDP1 | |
| Bicarbonate SCHEMBL3023220 | 0.78 | LMNA (0.42) | LMNATP53ALDH1A1MAPTTDP1 | |
| SCHEMBL17150901 | 0.78 | KMT2A (0.45) | LMNATP53ALDH1A1MAPTTDP1 | |
| SCHEMBL4353816 | 0.76 | LMNA (0.37) | LMNATP53ALDH1A1MAPTTDP1 | |
| SCHEMBL4432120 | 0.76 | LMNA (0.37) | LMNATP53ALDH1A1MAPTTDP1 | |
| SCHEMBL242414 | 0.74 | LMNA (0.38) | LMNATP53ALDH1A1MAPTTDP1 | |
| SCHEMBL30827039 | 0.73 | LMNA (0.52) | LMNATP53ALDH1A1MAPTTDP1 | |
| SCHEMBL3023218 | 0.72 | LMNA (0.41) | LMNATP53ALDH1A1MAPTTDP1 | |
| SCHEMBL242794 | 0.72 | LMNA (0.49) | LMNATP53ALDH1A1MAPTTDP1 | |
| SCHEMBL8960152 | 0.72 | LMNA (0.43) | LMNATP53ALDH1A1MAPTTDP1 |
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-2013211-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | Novartis AG (CH) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007121920-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | WO | disclosed |