Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.38 |
| ▸ | KMO | O15229 | 4/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | MAP3K14 | Q99558 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29462387 | 1.00 | NOTUM (0.38) | NOTUMKMOPTGS1PTGS2ALOX5 | |
| SCHEMBL28374207 | 0.71 | KMO (0.41) | NOTUMKMOALDH1A1 | |
| SCHEMBL19836469 | 0.70 | EGFR (0.39) | KMO | |
| SCHEMBL30039803 | 0.70 | EGFR (0.39) | KMO | |
| SCHEMBL30557503 | 0.70 | CDK4 (0.32) | — | |
| SCHEMBL29065292 | 0.70 | CDK4 (0.32) | — | |
| SCHEMBL30557498 | 0.70 | CDK4 (0.34) | — | |
| SCHEMBL29065294 | 0.70 | CDK4 (0.34) | — | |
| SCHEMBL16798282 | 0.70 | L3MBTL1 (0.40) | KMOALDH1A1 | |
| SCHEMBL31375122 | 0.70 | KMO (0.61) | KMOPTGS2KDM4EALDH1A1POLB |
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-114364675-A | CDK inhibitors | 上海齐鲁锐格医药研发有限公司 | 2022-04-15 | — | — | CN | disclosed |
| WO-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |