Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 3/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29656578 | 1.00 | KDM4E (0.44) | KDM4ENPC1RAB9AUSP2ALDH1A1 | |
| SCHEMBL29656423 | 0.73 | IP6K1 (0.59) | KDM4ENPC1RAB9AUSP2ALDH1A1 | |
| SCHEMBL28798602 | 0.72 | L3MBTL1 (0.41) | KDM4ENPC1RAB9AMAPTL3MBTL1 | |
| SCHEMBL24625406 | 0.72 | KDM4E (0.53) | KDM4ENPC1RAB9AUSP2ALDH1A1 | |
| SCHEMBL29656633 | 0.72 | KDM4E (0.53) | KDM4ENPC1RAB9AUSP2ALDH1A1 | |
| SCHEMBL24804872 | 0.72 | KDM4E (0.53) | KDM4ENPC1RAB9AUSP2ALDH1A1 | |
| SCHEMBL27849666 | 0.70 | OPRK1 (0.58) | NPC1RAB9ASMN1; SMN2OPRK1 | |
| SCHEMBL5962259 | 0.70 | KDM4E (0.57) | KDM4ENPC1RAB9AUSP2ALDH1A1 | |
| SCHEMBL16652889 | 0.69 | KDM4E (0.50) | KDM4ENPC1RAB9AUSP2ALDH1A1 | |
| SCHEMBL27756435 | 0.67 | JAK2 (0.42) | CCNE1CDK2 |
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-114539245-A | Pyrimidine-fused ring derivative-containing regulator, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-05-27 | — | — | CN | disclosed |