Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 5/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | PIM1 | P11309 | 2/20 | 0.34 |
| ▸ | PRKACA | P17612 | 2/20 | 0.34 |
| ▸ | GSK3A | P49840 | 2/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.34 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 4/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | CHUK | O15111 | 1/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.31 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5779051 | 0.85 | PSMB8 (0.35) | AKT1ROCK2PIM1PRKACAGSK3A | |
| SCHEMBL5777049 | 0.81 | ALB (0.58) | AKT1ROCK2PIM1PRKACAGSK3A | |
| SCHEMBL5774600 | 0.79 | ALB (0.51) | AKT1ROCK2PIM1PRKACAGSK3A | |
| SCHEMBL5779344 | 0.68 | AKT1 (0.39) | AKT1ROCK2PIM1PRKACAGSK3A | |
| SCHEMBL1026818 | 0.65 | NPSR1 (0.50) | AKT1ROCK2PIM1PRKACAGSK3A | |
| SCHEMBL1026819 | 0.65 | NPSR1 (0.50) | AKT1ROCK2PIM1PRKACAGSK3A | |
| SCHEMBL9000668 | 0.65 | AKT1 (0.43) | AKT1ROCK2PIM1PRKACAGSK3A | |
| SCHEMBL3824054 | 0.65 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL5776451 | 0.64 | ALB (0.43) | AKT1DYRK1AALBDYRK1B | |
| SCHEMBL5777728 | 0.64 | ALB (0.43) | AKT1ALB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1652839-A2 | Drug efflux pump inhibitor | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-05-03 | — | — | EP | disclosed |
| EP-1227084-B1 | DRUG DISCHARGE PUMP INHIBITORS | TRINE PHARMACEUTICALS INC (US) | 2005-12-14 | — | — | EP | disclosed |
| EP-1227084-A1 | DRUG DISCHARGE PUMP INHIBITORS | Microcide Pharmaceuticals, Inc. (US) | 2002-07-31 | — | — | EP | disclosed |