Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | LIG1 | P18858 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 3/20 | 0.40 |
| ▸ | FPR1 | P21462 | 2/20 | 0.39 |
| ▸ | FPR2 | P25090 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28599139 | 1.00 | GRIK1 (0.40) | GRIK1LIG1CNR1FPR1FPR2 | |
| SCHEMBL28606032 | 0.99 | GRIK1 (0.41) | GRIK1LIG1CNR1FPR1FPR2 | |
| SCHEMBL28606070 | 0.95 | GRIK1 (0.42) | GRIK1LIG1CNR1FPR1FPR2 | |
| SCHEMBL28598799 | 0.94 | IDH1 (0.38) | GRIK1LIG1CNR1FPR1FPR2 | |
| SCHEMBL28598858 | 0.94 | IDH1 (0.38) | GRIK1LIG1CNR1FPR1FPR2 | |
| SCHEMBL28599093 | 0.94 | LIG1 (0.39) | GRIK1LIG1CNR1FPR1FPR2 | |
| SCHEMBL28612434 | 0.93 | MAPT (0.42) | GRIK1LIG1CNR1FPR1FPR2 | |
| SCHEMBL28608358 | 0.92 | FPR1 (0.47) | GRIK1FPR1FPR2MEN1KMT2A | |
| SCHEMBL28599108 | 0.92 | FPR1 (0.47) | GRIK1FPR1FPR2MEN1KMT2A | |
| SCHEMBL28603909 | 0.91 | KDR (0.40) | CNR1FPR1FPR2KDRMEN1 |
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 |