Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 5/20 | 0.41 |
| ▸ | RELA | Q04206 | 5/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3377156 | 0.90 | BTK (0.44) | BTKNFKB1NFKB2RELACTSK | |
| SCHEMBL16439501 | 0.90 | BTK (0.48) | BTKNFKB1NFKB2RELACTSK | |
| SCHEMBL14368651 | 0.90 | BTK (0.44) | BTKNFKB1NFKB2RELACTSK | |
| SCHEMBL12665761 | 0.90 | BTK (0.44) | BTKNFKB1NFKB2RELACTSK | |
| SCHEMBL5660102 | 0.90 | BTK (0.44) | BTKNFKB1NFKB2RELACTSK | |
| SCHEMBL3373967 | 0.90 | BTK (0.48) | BTKNFKB1NFKB2RELACTSK | |
| SCHEMBL13039154 | 0.90 | BTK (0.48) | BTKNFKB1NFKB2RELACTSK | |
| SCHEMBL5660106 | 0.90 | BTK (0.44) | BTKNFKB1NFKB2RELACTSK | |
| SCHEMBL17714303 | 0.90 | BTK (0.48) | BTKNFKB1NFKB2RELACTSK | |
| SCHEMBL28790202 | 0.90 | BTK (0.44) | BTKNFKB1NFKB2RELACTSK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023224894-A1 | MACROCYCLES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2023-11-23 | — | — | WO | disclosed |
| 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 |