Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19633750 | 0.87 | MAOA (0.39) | METKDRCYP11B1CYP11B2MAOB | |
| SCHEMBL19633646 | 0.87 | MAOB (0.39) | MAOBMAOAGRM4 | |
| SCHEMBL19633857 | 0.87 | CYP4F2 (0.42) | CYP3A4ADRA1DADRA1AADRA1BKDR | |
| SCHEMBL19633520 | 0.83 | MAOB (0.46) | CYP3A4TLR8HTR1AADRA1DADRA1A | |
| SCHEMBL200813 | 0.82 | PDGFRA (0.53) | CYP3A4TLR8HTR1AADRA1DADRA1A | |
| SCHEMBL19633645 | 0.79 | SLC6A2 (0.43) | MAOBMAOAGRM4 | |
| SCHEMBL19633753 | 0.79 | GAK (0.49) | CYP3A4TLR8HTR1AADRA1DADRA1A | |
| SCHEMBL19633648 | 0.79 | PDGFRA (0.46) | TLR8HTR1AADRA1DADRA1AADRA1B | |
| SCHEMBL19633503 | 0.78 | GAK (0.53) | HTR1AADRA1DADRA1AADRA1BEGFR | |
| SCHEMBL7487186 | 0.77 | KDR (0.58) | EGFRPDGFRAKDR |
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-2017198196-A1 | QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY | 王子厚 | 2017-11-23 | — | — | WO | disclosed |