Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 10/20 | 0.44 |
| ▸ | FLT1 | P17948 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28871280 | 1.00 | KDR (0.44) | KDRFLT1KDM4ELMNAMAPT | |
| SCHEMBL29968287 | 0.88 | LMNA (0.53) | KDM4ELMNAMAPTUSP2ALDH1A1 | |
| SCHEMBL28871308 | 0.88 | LMNA (0.53) | KDM4ELMNAMAPTUSP2ALDH1A1 | |
| SCHEMBL29968066 | 0.88 | MAPK1 (0.41) | KDRFLT1MAPK1RAB9AMEN1 | |
| SCHEMBL28871289 | 0.88 | MAPK1 (0.41) | KDRFLT1MAPK1RAB9AMEN1 | |
| SCHEMBL28871277 | 0.86 | ADORA2A (0.48) | KDRFLT1HSD17B10ADORA2AADORA1 | |
| SCHEMBL29968347 | 0.86 | ADORA2A (0.48) | KDRFLT1HSD17B10ADORA2AADORA1 | |
| SCHEMBL29968276 | 0.84 | KDR (0.41) | KDRFLT1RAB9AMEN1NPC1 | |
| SCHEMBL28871310 | 0.84 | KCNH2 (0.48) | FLT3LCKGSK3BJAK2LYN | |
| SCHEMBL28871209 | 0.84 | KDR (0.41) | KDRFLT1RAB9AMEN1NPC1 |
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 |