Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALB | P02768 | 2/20 | 0.51 |
| ▸ | AKT1 | P31749 | 5/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | 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 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | 0.85 | ALB (0.44) | ALBAKT1NTRK1ROCK2PIM1 | |
| SCHEMBL5779562 | 0.85 | ALB (0.44) | ALBAKT1NTRK1ROCK2PIM1 | |
| SCHEMBL5774563 | 0.84 | ALB (0.69) | ALBKDM4EMEN1ALDH1A1TP53 | |
| SCHEMBL5776451 | 0.82 | ALB (0.43) | ALBAKT1NTRK1DYRK1AKDM4E | |
| SCHEMBL5777728 | 0.82 | ALB (0.43) | ALBAKT1NTRK1CYP1A2CYP2D6 | |
| SCHEMBL5780463 | 0.81 | ALB (0.81) | ALBAKT1NTRK1ROCK2PIM1 | |
| SCHEMBL5780685 | 0.79 | AKT1 (0.38) | ALBAKT1ROCK2PIM1PRKACA | |
| SCHEMBL27572318 | 0.76 | ALB (0.39) | ALB | |
| SCHEMBL5779199 | 0.76 | ALB (0.39) | ALB | |
| SCHEMBL5908387 | 0.76 | ALB (0.50) | ALBGSK3AKDM4EMEN1ALDH1A1 |
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 |