Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | GSTK1 | Q9Y2Q3 | 2/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.32 |
| ▸ | FABP3 | P05413 | 5/20 | 0.32 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Dihydrolipoic Acid SCHEMBL2582100 | 0.98 | NFKB1 (0.39) | NFKB1CA1GSTK1GPR84ENPEP | |
| Dihydrolipoic Acid SCHEMBL1659440 | 0.94 | NFKB1 (0.39) | NFKB1CA1GSTK1GPR84ENPEP | |
| Dihydrolipoic Acid SCHEMBL5827361 | 0.94 | NFKB1 (0.39) | NFKB1CA1GSTK1GPR84ENPEP | |
| Dihydrolipoic Acid SCHEMBL718014 | 0.94 | NFKB1 (0.43) | NFKB1CA1GSTK1GPR84ENPEP | |
| Dihydrolipoic Acid SCHEMBL4094129 | 0.87 | GSTK1 (0.46) | NFKB1GSTK1ENPEPFOLH1 | |
| Zinc Ion SCHEMBL2580314 | 0.86 | HDAC3 (0.35) | NFKB1 | |
| Zinc Ion SCHEMBL2583379 | 0.85 | HDAC3 (0.40) | — | |
| Zinc Ion SCHEMBL2581231 | 0.84 | HDAC3 (0.35) | — | |
| Zinc Ion SCHEMBL3337795 | 0.84 | HDAC3 (0.36) | NFKB1 | |
| Zinc Ion SCHEMBL3337707 | 0.83 | HDAC3 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2008174453-A | THERAPEUTIC AGENT FOR SCALP ALOPECIA | IWAKI KK | 2008-07-31 | — | — | JP | disclosed |