Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 6/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 4/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29967514 | 0.92 | CNR2 (0.37) | CYP19A1CNR2CNR1PPARGP2RX3 | |
| SCHEMBL29967780 | 0.89 | PPARG (0.45) | PPARGPIK3C2BAGTR1AGTR2 | |
| SCHEMBL29967971 | 0.89 | PPARG (0.42) | PPARGAGTR1AGTR2P2RX3 | |
| SCHEMBL29968268 | 0.86 | KDM4E (0.43) | CNR2CNR1PPARGPTGS2PIK3C2B | |
| SCHEMBL29967688 | 0.86 | CNR2 (0.38) | CNR2CNR1PPARGPTGS2P2RX3 | |
| SCHEMBL29967912 | 0.86 | P2RX3 (0.39) | CNR2PPARGP2RX3PTGDR2 | |
| SCHEMBL29968012 | 0.83 | NR1H4 (0.46) | PPARGAGTR1AGTR2P2RX3 | |
| SCHEMBL29967767 | 0.83 | FABP4 (0.37) | CNR2CNR1PPARGPTGS2P2RX3 | |
| SCHEMBL29968296 | 0.82 | PPARG (0.39) | CNR2PPARGPIK3C2B | |
| SCHEMBL29968376 | 0.81 | PPARG (0.41) | CNR2PPARGP2RX3 |
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 |