Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.46 |
| ▸ | SCD5 | Q86SK9 | 8/20 | 0.43 |
| ▸ | SCD | O00767 | 5/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | CCNC | P24863 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL167323 | 0.93 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1RIPK1SCD5SCD | |
| SCHEMBL164502 | 0.89 | RIPK1 (0.46) | HSP90AA1HSP90AB1RIPK1SCD5SCD | |
| SCHEMBL256556 | 0.82 | RIPK1 (0.53) | HSP90AA1HSP90AB1RIPK1SCD5SCD | |
| SCHEMBL166110 | 0.80 | POLB (0.47) | TP53HPGD | |
| SCHEMBL175219 | 0.78 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1RIPK1SCD5SCD | |
| SCHEMBL167476 | 0.76 | NPC1 (0.45) | HSP90AA1HSP90AB1ROCK2 | |
| SCHEMBL8284954 | 0.74 | BACE1 (0.66) | SCD5SCDROCK2 | |
| SCHEMBL166963 | 0.74 | RIPK1 (0.54) | HSP90AA1HSP90AB1RIPK1SCD5SCD | |
| SCHEMBL166455 | 0.73 | CPT1A (0.38) | — | |
| SCHEMBL715026 | 0.73 | CPT1A (0.38) | — |
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-2012028563-A1 | BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-08 | — | — | WO | disclosed |