Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 5/20 | 0.34 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.34 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 3/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29967926 | 0.84 | PTGS2 (0.41) | PTGS2PSMB5PARP1FFAR2CNR2 | |
| SCHEMBL29968177 | 0.81 | PTGS2 (0.39) | PTGS2PSMB5HSD17B10FFAR2ADORA3 | |
| SCHEMBL29968000 | 0.79 | DHODH (0.48) | PTGS2PARP1CNR2 | |
| SCHEMBL12960725 | 0.79 | KDM4E (0.43) | HSD17B10KDM4ELMNAALDH1A1HPGD | |
| SCHEMBL29967779 | 0.79 | PTGS2 (0.38) | PTGS2PSMB5PARP1FFAR2ADORA3 | |
| SCHEMBL29968037 | 0.78 | PARP1 (0.39) | KDM4EALDH1A1HPGDPARP1CNR2 | |
| SCHEMBL29967862 | 0.77 | PIK3CD (0.37) | PTGS2FFAR2CNR2 | |
| SCHEMBL29968235 | 0.77 | PSMB5 (0.41) | PTGS2PSMB5PARP1 | |
| SCHEMBL29967810 | 0.76 | PIK3CD (0.37) | PTGS2PARP1FFAR2CNR2 | |
| SCHEMBL29967941 | 0.75 | PIK3CD (0.36) | PTGS2PARP1CNR2 |
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 |