Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.57 |
| ▸ | TDP2 | O95551 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSPO | P30536 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.34 |
| ▸ | GABRP | O00591 | 2/20 | 0.34 |
| ▸ | GABRD | O14764 | 2/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30099722 | 0.79 | GABRA1 (0.48) | OPRK1PDE4DGAALMNATSPO | |
| SCHEMBL16506973 | 0.79 | TRIM24 (0.49) | CASP3GAALMNATRIM24ALDH1A1 | |
| SCHEMBL2759567 | 0.76 | CASP3 (0.53) | CASP3TDP2GAALMNATSPO | |
| SCHEMBL19657308 | 0.75 | CASP3 (0.43) | CASP3TDP2OPRK1PDE4DGAA | |
| SCHEMBL8054672 | 0.74 | TTR (0.52) | CASP3OPRK1PDE4DLMNAGABRA1 | |
| SCHEMBL5118034 | 0.73 | CASP3 (1.00) | CASP3APPALDH1A1 | |
| SCHEMBL13539267 | 0.72 | CASP3 (0.49) | CASP3TDP2GAAGABRA1GABRG2 | |
| SCHEMBL8554279 | 0.70 | CYP11B2 (0.51) | CASP3TRIM24 | |
| SCHEMBL9158816 | 0.70 | CASP3 (0.46) | CASP3GAAGABRA1GABRG2GABRB3 | |
| SCHEMBL24677008 | 0.69 | PDE3B (0.44) | LMNAGABRG2GABRB3GABRA5 |
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-117580829-A | Quinoline and azaquinolines as inhibitors of CD38 | 勃林格英格翰国际有限公司 | 2024-02-20 | — | — | CN | disclosed |