Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 7/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 7/20 | 0.40 |
| ▸ | RELA | Q04206 | 7/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20063806 | 0.77 | NFKB1 (0.49) | NFKB1NFKB2RELAKDM1ABTK | |
| SCHEMBL763965 | 0.77 | NFKB1 (0.49) | NFKB1NFKB2RELAKDM1ABTK | |
| SCHEMBL21294876 | 0.77 | NFKB1 (0.49) | NFKB1NFKB2RELAKDM1ABTK | |
| SCHEMBL4270314 | 0.77 | NFKB1 (0.49) | NFKB1NFKB2RELAKDM1ABTK | |
| SCHEMBL4270316 | 0.77 | NFKB1 (0.49) | NFKB1NFKB2RELAKDM1ABTK | |
| SCHEMBL12035428 | 0.76 | NFKB1 (0.45) | NFKB1NFKB2RELAKDM1ABTK | |
| SCHEMBL11960282 | 0.76 | NFKB1 (0.45) | NFKB1NFKB2RELAKDM1ABTK | |
| SCHEMBL20429152 | 0.76 | NFKB1 (0.45) | NFKB1NFKB2RELAKDM1ABTK | |
| SCHEMBL17991582 | 0.75 | NFKB1 (0.43) | NFKB1NFKB2RELAKDM1ABTK | |
| SCHEMBL3375149 | 0.75 | BTK (0.41) | NFKB1NFKB2RELAKDM1ABTK |
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-2012000608-A2 | NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES | GLUESENKAMP KARL-HEINZ (DE) | 2012-01-05 | — | — | WO | disclosed |