Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALB | P02768 | 2/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 3/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27588135 | 1.00 | ALB (0.44) | ALBNAMPTNTRK1HDAC3HDAC1 | |
| SCHEMBL5775071 | 0.86 | ALB (0.60) | ALBHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL5774600 | 0.85 | ALB (0.51) | ALBNTRK1HDAC3HDAC1HDAC2 | |
| SCHEMBL5779051 | 0.82 | PSMB8 (0.35) | NAMPTHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27588101 | 0.82 | PSMB8 (0.35) | NAMPTHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL5908485 | 0.79 | ALB (0.44) | ALBSREBF2ROCK2DYRK1A | |
| SCHEMBL5776451 | 0.75 | ALB (0.43) | ALBNTRK1AKT1DYRK1A | |
| SCHEMBL5777728 | 0.75 | ALB (0.43) | ALBNTRK1AKT1 | |
| SCHEMBL5780243 | 0.74 | ALB (0.41) | ALBHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27569393 | 0.74 | ALB (0.41) | ALBHDAC3HDAC1HDAC2HDAC8 |
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 |