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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 11/20 | 0.33 |
| ▸ | CES1 | P23141 | 7/20 | 0.32 |
| ▸ | CES2 | O00748 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17055830 | 0.89 | — | — | |
| SCHEMBL16568751 | 0.89 | — | — | |
| SCHEMBL14908459 | 0.89 | — | — | |
| SCHEMBL25221053 | 0.78 | FFAR3 (0.35) | FFAR3FAAHCES1CES2MEN1 | |
| SCHEMBL6986466 | 0.73 | FFAR3 (0.31) | FFAR3 | |
| SCHEMBL7086585 | 0.73 | FFAR3 (0.31) | FFAR3 | |
| SCHEMBL23941177 | 0.71 | POLB (0.32) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL6598780 | 0.70 | FFAR3 (0.36) | FFAR3TDP1ALDH1A1 | |
| SCHEMBL9715813 | 0.69 | — | — | |
| SCHEMBL1017090 | 0.69 | — | — |
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-1301483-A1 | 1-ARYL-4-ALKYL HALIDE-2(1H)-PYRIDONES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-16 | — | — | EP | disclosed |
| WO-2002006233-A1 | 1-ARYL-4-ALKYL HALIDE-2(1H)-PYRIDONES AND THEIR USE AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-24 | — | — | WO | disclosed |