Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.46 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
| ▸ | SCD5 | Q86SK9 | 4/20 | 0.43 |
| ▸ | SCD | O00767 | 4/20 | 0.43 |
| ▸ | CCNC | P24863 | 2/20 | 0.42 |
| ▸ | CDK8 | P49336 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL174020 | 0.82 | NAA50 (0.38) | CCNCCDK8 | |
| SCHEMBL174022 | 0.82 | NAA50 (0.38) | CCNCCDK8 | |
| SCHEMBL167323 | 0.81 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1ROCK2PARP14PARP10 | |
| SCHEMBL256561 | 0.78 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1ROCK2PARP14PARP10 | |
| SCHEMBL175220 | 0.78 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1ROCK2PARP14PARP10 | |
| SCHEMBL164502 | 0.76 | RIPK1 (0.46) | HSP90AA1HSP90AB1ROCK2PARP14PARP10 | |
| SCHEMBL164387 | 0.74 | PARP14 (0.60) | HSP90AA1HSP90AB1ROCK2PARP14PARP10 | |
| SCHEMBL166963 | 0.71 | RIPK1 (0.54) | HSP90AA1HSP90AB1ROCK2PARP14PARP10 | |
| SCHEMBL716840 | 0.69 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1ROCK2PARP14PARP10 | |
| SCHEMBL8596155 | 0.69 | PARP14 (0.62) | HSP90AA1HSP90AB1ROCK2PARP14PARP10 |
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-2611441-A1 | BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012028563-A1 | BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-03-08 | — | — | WO | disclosed |