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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 8/20 | 0.33 |
| ▸ | CES1 | P23141 | 5/20 | 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 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.31 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.31 |
| ▸ | NR4A3 | Q92570 | 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 | |
|---|---|---|---|---|
| SCHEMBL22084352 | 0.89 | ALDH1A1 (0.30) | TDP1ALDH1A1 | |
| SCHEMBL14776283 | 0.78 | FFAR3 (0.35) | TDP1FFAR3ALDH1A1FAAHCES1 | |
| SCHEMBL2976771 | 0.78 | FFAR3 (0.35) | TDP1FFAR3ALDH1A1FAAHCES1 | |
| SCHEMBL564917 | 0.73 | FFAR3 (0.31) | TDP1FFAR3ALDH1A1 | |
| SCHEMBL7091274 | 0.73 | FFAR3 (0.31) | TDP1FFAR3ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL29603858 | 0.70 | ALDH1A1 (0.59) | TDP1FFAR3ALDH1A1FAAHCES1 | |
| SCHEMBL21500192 | 0.69 | — | — | |
| SCHEMBL16082013 | 0.69 | FFAR3 (0.31) | FFAR3 | |
| Trifluoroacetic Acid SCHEMBL20527475 | 0.67 | FFAR3 (0.62) | TDP1FFAR3ALDH1A1FAAHCES1 | |
| SCHEMBL7908207 | 0.67 | — | — |
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 |