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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.37 |
| ▸ | GLS | O94925 | 4/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 SCHEMBL18167197 | 0.87 | HDAC1 (0.44) | SCD5HDAC1PTGDR2SLC6A9 | |
| SCHEMBL3309 | 0.85 | SCD5 (0.45) | SCD5HDAC1PTGDR2GLS | |
| SCHEMBL14779471 | 0.85 | SCD5 (0.45) | SCD5HDAC1PTGDR2GLS | |
| Bicarbonate SCHEMBL18167237 | 0.83 | PTGDR2 (0.41) | PTGDR2SLC6A9BRD4NPC1RAB9A | |
| Bicarbonate SCHEMBL18167218 | 0.83 | PTGDR2 (0.41) | PTGDR2SLC6A9BRD4NPC1RAB9A | |
| Bicarbonate SCHEMBL18167217 | 0.81 | OGA (0.45) | SCD5NPC1RAB9A | |
| SCHEMBL3778 | 0.81 | SCD5 (0.42) | SCD5HDAC1PTGDR2 | |
| SCHEMBL14778153 | 0.81 | SCD5 (0.42) | SCD5HDAC1PTGDR2 | |
| Bicarbonate SCHEMBL18167182 | 0.80 | ACKR3 (0.44) | SCD5 | |
| Bicarbonate SCHEMBL18167234 | 0.80 | FADS1 (0.41) | HDAC1PTGDR2SLC6A9BRD4NPC1 |
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-2483251-B1 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS INC (US) | 2016-10-26 | — | — | EP | claimed |