Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR2 | P25090 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | ATR | Q13535 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.31 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4143686 | 0.72 | HRH4 (0.42) | PARP1HSD17B10 | |
| SCHEMBL28231922 | 0.72 | CYP2C9 (0.34) | FPR2SCN9AGABRA1GABRG2GABRB3 | |
| SCHEMBL28231924 | 0.72 | HCRTR1 (0.34) | FPR2SCN9AGABRA1GABRG2GABRB3 | |
| SCHEMBL9722922 | 0.69 | GABRA1 (0.41) | FPR2SCN9AGABRA1GABRG2GABRB3 | |
| SCHEMBL28825098 | 0.67 | CES2 (0.55) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL27533980 | 0.67 | ALDH1A1 (0.44) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL20570435 | 0.66 | EGFR (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL31757267 | 0.66 | GABRA1 (0.47) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29238191 | 0.66 | GABRA1 (0.41) | FPR2SCN9AGABRA1GABRG2GABRB3 | |
| SCHEMBL8488435 | 0.66 | EGFR (0.41) | EGFR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105949120-A | Four-tooth chelating single quinoline derivative, preparation method thereof and application as metal ion regulator for neurodegenerative disease | 广东工业大学 | 2016-09-21 | — | — | CN | disclosed |