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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.43 |
| ▸ | VCP | P55072 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL487465 | 0.94 | MAPT (0.56) | MAPTHTTNPSR1HAO1L3MBTL1 | |
| SCHEMBL18561130 | 0.89 | MAPT (0.53) | MAPTHTTHAO1L3MBTL1LMNA | |
| Dimethylamine SCHEMBL700542 | 0.88 | MAPT (0.51) | MAPTHTTNPSR1HAO1L3MBTL1 | |
| SCHEMBL739253 | 0.83 | HTT (0.52) | MAPTHTTHAO1L3MBTL1LMNA | |
| Bicarbonate SCHEMBL28546564 | 0.82 | HAO1 (0.45) | MAPTHTTNPSR1HAO1L3MBTL1 | |
| Bicarbonate SCHEMBL28541060 | 0.82 | FFAR1 (0.49) | HAO1ASIC3FFAR1 | |
| SCHEMBL12391039 | 0.82 | ASIC3 (0.50) | MAPTHTTHAO1L3MBTL1LMNA | |
| SCHEMBL10723498 | 0.82 | MAPT (0.50) | MAPTHTTNPSR1APPVCP | |
| SCHEMBL22442356 | 0.80 | RARB (0.62) | MAPTHTTHAO1L3MBTL1LMNA | |
| SCHEMBL1637026 | 0.79 | L3MBTL1 (0.52) | MAPTHAO1L3MBTL1LMNASMN1; SMN2 |
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-109678854-B | Method for synthesizing pyrido [1,2-a ] indole-6 (1H) -ketone compound by manganese catalysis | 陕西师范大学 | 2021-04-09 | — | — | CN | disclosed |