Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | MTTP | P55157 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | CASP7 | P55210 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 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 | |
|---|---|---|---|---|
| SCHEMBL29967767 | 0.89 | FABP4 (0.37) | TSHRNPSR1HTTPTGS2MTTP | |
| SCHEMBL29967688 | 0.84 | CNR2 (0.38) | PTGS2CNR2KDM4EHSD17B10CNR1 | |
| SCHEMBL29968198 | 0.84 | DCTPP1 (0.42) | PPARGP2RX3 | |
| SCHEMBL29968268 | 0.82 | KDM4E (0.43) | TSHRHTTPTGS2CNR2KDM4E | |
| SCHEMBL29968232 | 0.82 | PDE10A (0.40) | PPARGP2RX3 | |
| SCHEMBL29968012 | 0.81 | NR1H4 (0.46) | L3MBTL1SMN1; SMN2KDM4EALDH1A1MEN1 | |
| SCHEMBL29967971 | 0.81 | PPARG (0.42) | PPARGP2RX3 | |
| SCHEMBL29968901 | 0.80 | DCTPP1 (0.53) | NPSR1HTTL3MBTL1SMN1; SMN2CNR2 | |
| SCHEMBL29967780 | 0.79 | PPARG (0.45) | KDM4EALDH1A1PPARG | |
| SCHEMBL29968433 | 0.79 | CYP19A1 (0.39) | PTGS2CNR2CNR1PPARGP2RX3 |
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 |