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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.47 |
| ▸ | NAAA | Q02083 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
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 SCHEMBL19329248 | 1.00 | EPHX1 (0.47) | EPHX1NAAAHTTALDH1A1NPC1 | |
| SCHEMBL11434425 | 0.89 | EPHX1 (0.41) | EPHX1NAAAHTTALDH1A1NPC1 | |
| SCHEMBL566591 | 0.88 | NPC1 (0.44) | EPHX1NAAAHTTALDH1A1NPC1 | |
| SCHEMBL19018658 | 0.88 | NPC1 (0.44) | EPHX1NAAAHTTALDH1A1NPC1 | |
| SCHEMBL996780 | 0.88 | NPC1 (0.44) | EPHX1NAAAHTTALDH1A1NPC1 | |
| SCHEMBL9129037 | 0.88 | NPC1 (0.44) | EPHX1NAAAHTTALDH1A1NPC1 | |
| SCHEMBL60435 | 0.88 | — | — | |
| SCHEMBL5150085 | 0.88 | NPC1 (0.44) | EPHX1NAAAHTTALDH1A1NPC1 | |
| Charcoal, Activated SCHEMBL12484130 | 0.85 | NPC1 (0.43) | EPHX1NAAAHTTALDH1A1NPC1 | |
| Ammonia Solution, Strong SCHEMBL8076859 | 0.85 | NPC1 (0.43) | EPHX1NAAAHTTALDH1A1NPC1 |
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-0962459-B1 | DIACETAL COMPOSITION, PROCESS FOR THE PREPARATION OF THE SAME, NUCLEATING AGENT FOR POLYOLEFINS CONTAINING THE SAME, POLYOLEFIN RESIN COMPOSITIONS, AND MOLDINGS | NEW JAPAN CHEM CO LTD (JP) | 2003-10-01 | — | — | EP | claimed |