Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 2/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | GCK | P35557 | 2/20 | 0.30 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL10005544 | 0.77 | LTA4H (0.45) | TRPA1BACE1BACE2 | |
| SCHEMBL13211386 | 0.77 | NR4A1 (0.54) | NR4A1 | |
| SCHEMBL471096 | 0.76 | BACE1 (0.40) | TRPA1NR4A1BACE1BACE2 | |
| SCHEMBL470868 | 0.74 | NR4A1 (0.34) | NR4A1 | |
| SCHEMBL30166991 | 0.74 | HDAC1 (0.47) | NR4A1GCK | |
| SCHEMBL6544454 | 0.73 | MAPT (0.45) | NR4A1 | |
| SCHEMBL470986 | 0.73 | DRD1 (0.45) | NR4A1BACE1BACE2GCK | |
| SCHEMBL3487927 | 0.71 | HSPB1 (0.48) | TRPA1 | |
| SCHEMBL470941 | 0.71 | SMN1; SMN2 (0.60) | — | |
| SCHEMBL9816025 | 0.71 | ALDH1A1 (0.52) | NR4A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012033091-A1 | PROCESS FOR PREPARING BENZOIC ACID ESTERS | 第一三共株式会社 (JP) | 2012-03-15 | — | — | WO | disclosed |
| WO-2010101164-A1 | PYRIDINE DERIVATIVE | 第一三共株式会社 (JP) | 2010-09-10 | — | — | WO | disclosed |