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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | TOP2A | P11388 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.45 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10961565 | 0.88 | KDM4E (0.54) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| Bicarbonate SCHEMBL11114446 | 0.87 | KDM4E (0.52) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL18864181 | 0.84 | KDM4E (0.51) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| Bicarbonate SCHEMBL10920999 | 0.84 | KDM4E (0.49) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| Bicarbonate SCHEMBL10873564 | 0.84 | KDM4E (0.66) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL18864174 | 0.84 | KDM4E (0.50) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL18864179 | 0.84 | KDM4E (0.50) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL18864177 | 0.84 | KDM4E (0.50) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL18864182 | 0.84 | KDM4E (0.50) | ALDH1A1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL18864170 | 0.84 | KDM4E (0.50) | ALDH1A1KDM4ELMNAHPGDHSD17B10 |
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-0209000-B1 | EMBONATES OF QUINOLINE-CARBOXYLIC ACIDS AND THEIR DERIVATIVES | BAYER AG (DE) | 1990-08-16 | — | — | EP | disclosed |
| EP-0209000-A2 | Embonates of quinoline-carboxylic acids and their derivatives | BAYER AG (DE) | 1987-01-21 | — | — | EP | disclosed |