Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 8/20 | 0.50 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL557717 | 0.88 | BBOX1 (0.54) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| Bicarbonate SCHEMBL27610752 | 0.85 | BBOX1 (0.52) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| Bicarbonate SCHEMBL557719 | 0.85 | BBOX1 (0.52) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| Bicarbonate SCHEMBL8995782 | 0.85 | BBOX1 (0.52) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| Acetic Acid SCHEMBL557337 | 0.85 | BBOX1 (0.52) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| Oxalic Acid SCHEMBL1052162 | 0.85 | BBOX1 (0.52) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| Propionic Acid SCHEMBL5571765 | 0.82 | BBOX1 (0.56) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| Oxalic Acid SCHEMBL27941269 | 0.82 | BBOX1 (0.50) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| Oxalic Acid SCHEMBL6848374 | 0.82 | BBOX1 (0.50) | BBOX1FFAR3HDAC3HDAC1HDAC2 | |
| Oxalic Acid SCHEMBL1052167 | 0.80 | BBOX1 (0.48) | BBOX1FFAR3HDAC3HDAC1HDAC2 |
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-107431245-B | Nonaqueous electrolyte solution for secondary battery and secondary battery provided with same | 斯泰拉化工公司 | 2021-08-10 | — | — | CN | disclosed |