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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PTAFR | P25105 | 1/20 | 0.43 |
| ▸ | TFEB | P19484 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
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 SCHEMBL9521138 | 0.87 | MAOB (0.48) | CA1CA2NPC1RAB9AHTT | |
| Bicarbonate SCHEMBL9521090 | 0.87 | MAOB (0.48) | CA1CA2NPC1RAB9AHTT | |
| SCHEMBL10399112 | 0.84 | ABCG2 (0.50) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL10399114 | 0.84 | ABCG2 (0.50) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL9518925 | 0.80 | GPR52 (0.47) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL10398965 | 0.79 | PTAFR (0.50) | NPC1RAB9AABCG2CTSDHPGD | |
| SCHEMBL10398967 | 0.79 | PTAFR (0.50) | NPC1RAB9AABCG2CTSDHPGD | |
| SCHEMBL9520689 | 0.78 | ABCG2 (0.49) | CA12CA1CA2CA9NPC1 | |
| SCHEMBL3432968 | 0.77 | ABCG2 (0.47) | CA12CA1CA2CA9NPC1 | |
| Bicarbonate SCHEMBL9519130 | 0.77 | CES2 (0.47) | NPC1RAB9AHPGDGPR52ALDH1A1 |
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 |