Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.38 |
| ▸ | RELA | Q04206 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4556862 | 0.90 | BTK (0.44) | KDM1ABTKNFKB1NFKB2RELA | |
| SCHEMBL3384745 | 0.83 | KDM1A (0.39) | KDM1ABTKNFKB1NFKB2RELA | |
| SCHEMBL14837522 | 0.82 | BTK (0.51) | KDM1ABTKNFKB1NFKB2RELA | |
| SCHEMBL20645435 | 0.82 | BTK (0.45) | KDM1ABTKNFKB1NFKB2RELA | |
| SCHEMBL19863569 | 0.82 | BTK (0.45) | KDM1ABTKNFKB1NFKB2RELA | |
| SCHEMBL16510329 | 0.81 | BTK (0.40) | KDM1ABTKNFKB1NFKB2RELA | |
| SCHEMBL5722405 | 0.81 | BTK (0.40) | KDM1ABTKNFKB1NFKB2RELA | |
| SCHEMBL25087754 | 0.79 | BTK (0.43) | KDM1ABTKNFKB1NFKB2RELA | |
| SCHEMBL3375340 | 0.79 | BTK (0.43) | KDM1ABTKNFKB1NFKB2RELA | |
| SCHEMBL19931998 | 0.78 | KDM1A (0.40) | KDM1ABTKNFKB1NFKB2RELA |
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 |