Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL14897959 | 0.82 | CA1 (0.32) | DGAT1 | |
| SCHEMBL15481086 | 0.82 | CA1 (0.32) | DGAT1 | |
| SCHEMBL23030404 | 0.77 | MEN1 (0.32) | — | |
| SCHEMBL22096538 | 0.76 | CA1 (0.32) | — | |
| SCHEMBL24046046 | 0.74 | CTSK (0.32) | — | |
| SCHEMBL29846523 | 0.73 | CTSK (0.33) | CA12CA14 | |
| SCHEMBL5768258 | 0.73 | CTSK (0.46) | — | |
| SCHEMBL19533132 | 0.70 | CYP2D6 (0.38) | — | |
| SCHEMBL27640595 | 0.70 | NOS1 (0.33) | — | |
| SCHEMBL27668493 | 0.70 | CTSK (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012002577-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | 富士フイルム株式会社 (JP) | 2012-01-05 | — | — | WO | disclosed |