Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 5/20 | 0.39 |
| ▸ | MAOA | P21397 | 4/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 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 | |
|---|---|---|---|---|
| SCHEMBL24630603 | 0.81 | GABRA1 (0.48) | FLT3GABRA1GABRB2ESR1ESR2 | |
| SCHEMBL25962670 | 0.78 | CYP1A2 (0.42) | MAOAFLT3GABRA1GABRB2ESR1 | |
| SCHEMBL25955472 | 0.77 | GABRA1 (0.39) | FLT3GABRA1GABRB2ESR1ESR2 | |
| SCHEMBL24791895 | 0.77 | ESR1 (0.47) | FLT3GABRA1GABRB2ESR1ESR2 | |
| SCHEMBL25808803 | 0.74 | ESR1 (0.38) | FLT3GABRA1GABRB2ESR1ESR2 | |
| SCHEMBL25955819 | 0.73 | TDP1 (0.37) | FLT3GABRA1GABRB2ESR1ESR2 | |
| SCHEMBL26064407 | 0.73 | FLT3 (0.36) | FLT3GABRA1GABRB2ESR1ESR2 | |
| SCHEMBL25826787 | 0.73 | GABRA1 (0.40) | FLT3GABRA1GABRB2ESR1ESR2 | |
| SCHEMBL26712981 | 0.73 | GABRA1 (0.40) | HSD17B1MAOBMAOAFLT3GABRA1 | |
| SCHEMBL5679431 | 0.73 | MAPT (0.46) | HSD17B1MAOBGABRA1GABRB2DAO |
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-2023125989-A1 | QUINAZOLINE COMPOUND AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |