Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 2/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 5/20 | 0.37 |
| ▸ | BCR | P11274 | 5/20 | 0.37 |
| ▸ | KIT | P10721 | 3/20 | 0.37 |
| ▸ | FLT3 | P36888 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29967594 | 1.00 | MEN1 (0.43) | MEN1NPC1RAB9AKMT2ANR2F2 | |
| SCHEMBL28871303 | 0.86 | ABL1 (0.42) | CDK1MAPK8CDK4CCND1ABL1 | |
| SCHEMBL28871276 | 0.86 | NR1H4 (0.41) | CDK1MAPK8CDK4CCND1ABL1 | |
| SCHEMBL29967962 | 0.86 | ABL1 (0.42) | CDK1MAPK8CDK4CCND1ABL1 | |
| SCHEMBL29968066 | 0.85 | MAPK1 (0.41) | MEN1NPC1RAB9AKMT2ANR2F2 | |
| SCHEMBL28871289 | 0.85 | MAPK1 (0.41) | MEN1NPC1RAB9AKMT2ANR2F2 | |
| SCHEMBL28871209 | 0.83 | KDR (0.41) | MEN1NPC1RAB9AKMT2ANR2F2 | |
| SCHEMBL29968276 | 0.83 | KDR (0.41) | MEN1NPC1RAB9AKMT2ANR2F2 | |
| SCHEMBL29967967 | 0.81 | KDR (0.44) | MEN1NPC1RAB9AKMT2ACDK1 | |
| SCHEMBL28871280 | 0.81 | KDR (0.44) | MEN1NPC1RAB9AKMT2ACDK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |