Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.55 |
| ▸ | PRKACA | P17612 | 2/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.55 |
| ▸ | CDK2 | P24941 | 3/20 | 0.50 |
| ▸ | CDK4 | P11802 | 2/20 | 0.50 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.47 |
| ▸ | JAK2 | O60674 | 3/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.45 |
| ▸ | GSK3B | P49841 | 2/20 | 0.45 |
| ▸ | CDC7 | O00311 | 1/20 | 0.45 |
| ▸ | PLK4 | O00444 | 1/20 | 0.45 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3103196 | 0.81 | PRKACA (0.56) | HSP90AA1PRKACAAURKAADORA2ACDK2 | |
| SCHEMBL23071629 | 0.79 | HSP90AA1 (0.63) | HSP90AA1PRKACAAURKAADORA2ACDK2 | |
| SCHEMBL28513246 | 0.78 | HSP90AA1 (0.53) | HSP90AA1PRKACAAURKAADORA2ACDK2 | |
| SCHEMBL30507455 | 0.78 | HSP90AA1 (0.53) | HSP90AA1PRKACAAURKAADORA2ACDK2 | |
| SCHEMBL31396451 | 0.77 | JAK2 (0.48) | PRKACACDK2CCNE1ROCK1MAP3K14 | |
| SCHEMBL28354141 | 0.76 | ADORA2A (0.46) | HSP90AA1PRKACAAURKAADORA2AKDM4E | |
| SCHEMBL28771445 | 0.74 | DYRK1A (0.51) | HSP90AA1PRKACAAURKAADORA2ACDK2 | |
| SCHEMBL14280828 | 0.73 | CCR1 (0.52) | HSP90AA1KDM4EALDH1A1MAPK1RAB9A | |
| SCHEMBL13977465 | 0.73 | JAK2 (0.61) | HSP90AA1PRKACAAURKAADORA2ACDK2 | |
| SCHEMBL3792633 | 0.73 | HSP90AA1 (0.47) | HSP90AA1PRKACAAURKAADORA2ACDK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |