Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | RHOA | P61586 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 2/20 | 0.30 |
| ▸ | DRD3 | P35462 | 2/20 | 0.30 |
| ▸ | MAT2A | P31153 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30096583 | 0.82 | PARP1 (0.44) | PARP1NPC1RAB9ASMN1; SMN2PIK3CA | |
| SCHEMBL16059334 | 0.82 | PARP1 (0.44) | PARP1NPC1RAB9ASMN1; SMN2PIK3CA | |
| SCHEMBL29550592 | 0.72 | FGFR1 (0.33) | GRM5NPC1RAB9A | |
| SCHEMBL19751544 | 0.70 | PIK3CA (0.37) | GRM5PIK3CAMAT2A | |
| SCHEMBL29550548 | 0.69 | — | — | |
| SCHEMBL29550093 | 0.69 | PIK3CA (0.37) | PIK3CA | |
| SCHEMBL29549832 | 0.69 | ATM (0.35) | PIK3CA | |
| SCHEMBL29550398 | 0.68 | GRM5 (0.38) | GRM5RHOACYP11B1CYP11B2PIK3CA | |
| SCHEMBL18614540 | 0.67 | PIK3CA (0.38) | PIK3CAMAT2A | |
| SCHEMBL29999565 | 0.67 | GRM5 (0.48) | GRM5SMN1; SMN2CYP11B1CYP11B2 |
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-2022063303-A1 | A CLASS OF FUSED RING COMPOUNDS, AND PREPARATION AND USE THEREOF | 石药集团中奇制药技术（石家庄）有限公司 | 2022-03-31 | — | — | WO | disclosed |