Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL25087754 | 0.87 | BTK (0.43) | BTKKDM1AMAOBNFKB1NFKB2 | |
| SCHEMBL21621824 | 0.84 | BTK (0.46) | BTKKDM1AMAOBNFKB1NFKB2 | |
| SCHEMBL30059450 | 0.84 | BTK (0.46) | BTKKDM1AMAOBNFKB1NFKB2 | |
| SCHEMBL25126894 | 0.84 | BTK (0.46) | BTKKDM1AMAOBNFKB1NFKB2 | |
| SCHEMBL4754159 | 0.84 | BTK (0.46) | BTKKDM1AMAOBNFKB1NFKB2 | |
| SCHEMBL29861646 | 0.84 | BTK (0.46) | BTKKDM1AMAOBNFKB1NFKB2 | |
| SCHEMBL13813883 | 0.83 | BTK (0.46) | BTKKDM1AMAOBNFKB1NFKB2 | |
| SCHEMBL25041782 | 0.83 | BTK (0.43) | BTKKDM1AMAOBNFKB1NFKB2 | |
| SCHEMBL23096323 | 0.83 | BTK (0.43) | BTKKDM1AMAOBNFKB1NFKB2 | |
| SCHEMBL20063702 | 0.83 | BTK (0.50) | BTKKDM1AMAOBNFKB1NFKB2 |
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-1399443-B1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2007-12-12 | — | — | EP | disclosed |