Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTK | P33981 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 3/20 | 0.39 |
| ▸ | QPCT | Q16769 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 3/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3722640 | 0.90 | TTK (0.43) | TTKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6113437 | 0.89 | ALDH1A1 (0.41) | TTKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL121067 | 0.89 | TTK (0.42) | TTKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13077300 | 0.88 | BRD4 (0.43) | TTKBRD4 | |
| SCHEMBL6113162 | 0.87 | BRD4 (0.46) | TTKCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13077306 | 0.86 | IKBKB (0.43) | TTKBRD4 | |
| SCHEMBL13077309 | 0.84 | RAB9A (0.41) | TTKCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13077299 | 0.84 | TTK (0.47) | TTKBRD4 | |
| SCHEMBL13077297 | 0.81 | TTK (0.41) | TTKBRD4 | |
| SCHEMBL13077291 | 0.81 | TTK (0.41) | TTKCYP1A2CYP3A4CYP2D6HSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010124826-A1 | SUBSTITUTED IMIDAZOQUINOXALINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-11-04 | — | — | WO | disclosed |