Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 2/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28871263 | 1.00 | GABRG2 (0.38) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL2407760 | 0.79 | NPC1 (0.53) | HPGDSMN1; SMN2NPC1MEN1KMT2A | |
| SCHEMBL16681034 | 0.76 | SQOR (0.45) | KDM4EHPGDALDH1A1GLAGAA | |
| SCHEMBL2147424 | 0.75 | PTGES (0.42) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL28371929 | 0.74 | PTGES (0.52) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL19062287 | 0.74 | ALDH1A1 (0.46) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL6119856 | 0.74 | GRM5 (0.43) | KDM4EHPGDALDH1A1GLAGAA | |
| SCHEMBL2650208 | 0.73 | GABRA5 (0.45) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL17630035 | 0.73 | EGLN2 (0.43) | GABRG2GABRB3GABRA5GABRA3ALOX5AP | |
| SCHEMBL28871243 | 0.72 | CASP3 (0.40) | GABRG2GABRB3GABRA5GABRA3GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |