Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 9/20 | 0.42 |
| ▸ | BCR | P11274 | 9/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 3/20 | 0.41 |
| ▸ | FLT3 | P36888 | 3/20 | 0.41 |
| ▸ | KDR | P35968 | 4/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | INSR | P06213 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | LYN | P07948 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29967962 | 1.00 | ABL1 (0.42) | ABL1BCRCDK4CCND1KIT | |
| SCHEMBL29968041 | 0.90 | CDK4 (0.46) | ABL1BCRCDK4CCND1KIT | |
| SCHEMBL28871242 | 0.90 | CDK4 (0.46) | ABL1BCRCDK4CCND1KIT | |
| SCHEMBL29968299 | 0.90 | KIT (0.43) | ABL1BCRKITFLT3KDR | |
| SCHEMBL28871276 | 0.88 | NR1H4 (0.41) | ABL1BCRCDK4CCND1KIT | |
| SCHEMBL28957382 | 0.86 | MEN1 (0.43) | ABL1BCRCDK4CCND1KIT | |
| SCHEMBL29967594 | 0.86 | MEN1 (0.43) | ABL1BCRCDK4CCND1KIT | |
| SCHEMBL28957360 | 0.84 | NR1H4 (0.53) | ABL1BCRKITFLT3KDR | |
| SCHEMBL29968183 | 0.84 | NR1H4 (0.53) | ABL1BCRKITFLT3KDR | |
| SCHEMBL29968242 | 0.84 | NR1H4 (0.48) | ABL1BCRKITFLT3MAPK8 |
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 |