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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMARCA2 | P51531 | 2/20 | 0.32 |
| ▸ | SMARCA4 | P51532 | 2/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31051471 | 0.81 | — | — | |
| SCHEMBL28153591 | 0.78 | MEN1 (0.40) | MEN1KMT2ARECQLNPC1 | |
| SCHEMBL28242027 | 0.73 | KMO (0.40) | KMOMEN1KMT2ASIRT6 | |
| Methylene Chloride SCHEMBL27947432 | 0.73 | MEN1 (0.38) | MEN1KMT2ARECQLNPC1 | |
| Acetaldehyde SCHEMBL28232456 | 0.72 | NPC1 (0.35) | MEN1KMT2ANPC1FGFR4 | |
| SCHEMBL22163937 | 0.72 | MEN1 (0.34) | MEN1KMT2ARECQLNPC1 | |
| Isopropyl Alcohol SCHEMBL28207243 | 0.72 | NPC1 (0.35) | MEN1KMT2ARECQLNPC1 | |
| SCHEMBL882676 | 0.70 | KMO (0.38) | KMOL3MBTL1NPC1 | |
| SCHEMBL2774810 | 0.70 | KMO (0.38) | KMOMEN1KMT2ASIRT6 | |
| SCHEMBL31196442 | 0.70 | SIRT6 (0.50) | KMOL3MBTL1SIRT6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104829542-B | Aniline pyrimidine class compound, its preparation method and medical usage | 中国科学院上海药物研究所 | 2018-02-02 | — | — | CN | disclosed |