Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 1/20 | 0.39 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.36 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | FPR1 | P21462 | 1/20 | 0.34 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.33 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | TMPRSS4 | Q9NRS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28606032 | 0.95 | GRIK1 (0.41) | LIG1GRIK1CNR1KDRMEN1 | |
| SCHEMBL28614923 | 0.94 | GRIK1 (0.40) | LIG1GRIK1CNR1KDRMEN1 | |
| SCHEMBL28599139 | 0.94 | GRIK1 (0.40) | LIG1GRIK1CNR1KDRMEN1 | |
| SCHEMBL28606070 | 0.91 | GRIK1 (0.42) | LIG1GRIK1CNR1MAPTKDR | |
| SCHEMBL28598858 | 0.90 | IDH1 (0.38) | LIG1GRIK1CNR1MAPTKDR | |
| SCHEMBL28598799 | 0.90 | IDH1 (0.38) | LIG1GRIK1CNR1MAPTKDR | |
| SCHEMBL28608487 | 0.90 | ALDH1A1 (0.38) | P2RY1MAPTKDRMEN1KMT2A | |
| SCHEMBL28606031 | 0.90 | MAPT (0.40) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL28608062 | 0.88 | GRIK1 (0.40) | LIG1GRIK1CNR1KDRALDH1A1 | |
| SCHEMBL28599108 | 0.88 | FPR1 (0.47) | GRIK1MEN1KMT2AFPR1FPR2 |
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-108558756-B | 2-aryl-2, 3-dihydro-4 (1H) -quinolinone semicarbazone compound and application thereof | 沈阳药科大学 | 2021-08-03 | — | — | CN | claimed |