Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 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 | |
|---|---|---|---|---|
| SCHEMBL16922697 | 0.85 | KDM1A (0.34) | FFAR1FFAR4GRM5KDM1ARCOR1 | |
| SCHEMBL81135 | 0.84 | MELK (0.47) | MELKEGFRMMP2MMP12ALDH1A1 | |
| SCHEMBL15588319 | 0.81 | PTPN2 (0.33) | EGFRMMP2MMP12FFAR1FFAR4 | |
| SCHEMBL15588338 | 0.80 | FFAR1 (0.34) | EGFRMMP2MMP12FFAR1FFAR4 | |
| SCHEMBL7651081 | 0.79 | CYP2D6 (0.36) | GRM5KDM1ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13531864 | 0.78 | MELK (0.42) | MELKMMP2MMP12ALDH1A1P2RY6 | |
| SCHEMBL80226 | 0.76 | KIF11 (0.47) | MELKEGFRMMP2MMP12ALDH1A1 | |
| SCHEMBL7788815 | 0.75 | FFAR1 (0.43) | MMP2MMP12FFAR1FFAR4GRM5 | |
| SCHEMBL16840949 | 0.75 | HTT (0.35) | FFAR1FFAR4NPSR1KIF11 | |
| SCHEMBL19608768 | 0.75 | CYP1A1 (0.39) | EGFRGRM5KDM1ACYP1A2RCOR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015181272-A1 | RAB GERANYLGERANYL TRANSFERASE INHIBITORS | LEAD DISCOVERY CENTER GMBH (DE) | 2015-12-03 | — | — | WO | disclosed |
| WO-2015181272-A1 | RAB GERANYLGERANYL TRANSFERASE INHIBITORS | LEAD DISCOVERY CENTER GMBH (DE) | 2015-12-03 | — | — | WO | disclosed |