Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6204157 | 1.00 | BTK (0.30) | BTKAKR1C3AKR1C2 | |
| SCHEMBL6389427 | 0.92 | NPC1 (0.31) | — | |
| SCHEMBL6391925 | 0.83 | — | — | |
| SCHEMBL6203392 | 0.80 | BTK (0.32) | BTK | |
| SCHEMBL4319020 | 0.78 | CTSK (0.34) | — | |
| SCHEMBL4310035 | 0.77 | — | — | |
| SCHEMBL6389407 | 0.77 | KMT2A (0.34) | — | |
| SCHEMBL6226321 | 0.76 | CTSK (0.35) | BTKAKR1C3AKR1C2 | |
| SCHEMBL6388132 | 0.76 | CTSL (0.41) | — | |
| SCHEMBL5099273 | 0.74 | CTSK (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1511492-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-03-09 | — | — | EP | claimed |
| WO-2003103574-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-12-18 | — | — | WO | claimed |