Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 8/20 | 0.40 |
| ▸ | CTSS | P25774 | 6/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL24701274 | 0.82 | HSD11B1 (0.48) | CTSKHSD11B1NFKB1NFKB2RELA | |
| SCHEMBL23900570 | 0.76 | HSD11B1 (0.37) | HSD11B1NFKB1NFKB2RELAKDM1A | |
| SCHEMBL26783003 | 0.74 | CTSK (0.39) | CTSKCTSSHSD11B1NFKB1NFKB2 | |
| SCHEMBL19931880 | 0.74 | HSD11B1 (0.36) | HSD11B1NFKB1NFKB2RELAKDM1A | |
| SCHEMBL23281289 | 0.73 | NFKB1 (0.40) | CTSKHSD11B1NFKB1NFKB2RELA | |
| SCHEMBL24337068 | 0.72 | BTK (0.39) | CTSKHSD11B1NFKB1NFKB2RELA | |
| SCHEMBL23625485 | 0.72 | BTK (0.44) | CTSKHSD11B1NFKB1NFKB2RELA | |
| SCHEMBL24543130 | 0.72 | BTK (0.44) | CTSKHSD11B1NFKB1NFKB2RELA | |
| SCHEMBL23562417 | 0.72 | HSD11B1 (0.47) | CTSKHSD11B1NFKB1NFKB2RELA | |
| SCHEMBL23900563 | 0.72 | BTK (0.44) | CTSKHSD11B1NFKB1NFKB2RELA |
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-3810116-B1 | NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-11-15 | — | — | EP | disclosed |