Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 19/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 19/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 19/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 19/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 19/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 18/20 | 0.49 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.49 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.49 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21362657 | 1.00 | GABRA1 (0.49) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21362482 | 0.94 | GABRA5 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21362468 | 0.92 | GABRA5 (0.51) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21362480 | 0.91 | GABRA5 (0.53) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21362608 | 0.91 | GABRA5 (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21362665 | 0.90 | GABRA5 (0.49) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21362656 | 0.90 | GABRA5 (0.53) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21362674 | 0.90 | GABRA5 (0.53) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL30096944 | 0.90 | GABRA5 (0.53) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL21362672 | 0.89 | GABRA5 (0.51) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3766882-B1 | PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF | SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) | 2023-08-23 | — | — | EP | disclosed |
| CN-110256440-B | Phthalazine isoxazole alkoxy derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2023-05-23 | — | — | CN | disclosed |