Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 4/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | KLK7 | P49862 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.35 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12332970 | 1.00 | CACNA1B (0.50) | CACNA1BMEN1KMT2APPARGPPARA | |
| SCHEMBL491161 | 0.92 | CACNA1B (0.60) | CACNA1BPPARGPPARACTSKCTSS | |
| SCHEMBL490917 | 0.92 | CACNA1B (0.60) | CACNA1BPPARGPPARACTSKCTSS | |
| SCHEMBL490920 | 0.92 | CACNA1B (0.60) | CACNA1BPPARGPPARACTSKCTSS | |
| SCHEMBL12332971 | 0.91 | CACNA1B (0.49) | CACNA1BPPARGPPARACTSKCTSS | |
| SCHEMBL490471 | 0.84 | CACNA1B (0.44) | CACNA1BPPARGPPARACTSKCTSS | |
| SCHEMBL490390 | 0.84 | CACNA1B (0.44) | CACNA1BPPARGPPARACTSKCTSS | |
| SCHEMBL490799 | 0.84 | CACNA1B (0.44) | CACNA1BPPARGPPARACTSKCTSS | |
| SCHEMBL490796 | 0.84 | CACNA1B (0.44) | CACNA1BPPARGPPARACTSKCTSS | |
| SCHEMBL490387 | 0.84 | CACNA1B (0.44) | CACNA1BPPARGPPARACTSKCTSS |
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 |
|---|---|---|---|---|---|---|---|
| EP-2086956-B1 | INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE | CHROMA THERAPEUTICS LTD (GB) | 2011-09-14 | — | — | EP | disclosed |