Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | SYK | P43405 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.46 |
| ▸ | ATF1 | P18846 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL476310 | 1.00 | ALDH1A1 (0.59) | ALDH1A1KDM4EKMT2AMEN1HSP90AA1 | |
| Pyridine SCHEMBL27631572 | 0.90 | ALDH1A1 (0.54) | ALDH1A1KDM4EKMT2AMEN1HSP90AA1 | |
| SCHEMBL23620367 | 0.87 | ALDH1A1 (0.49) | ALDH1A1KDM4EKMT2AMEN1HSP90AA1 | |
| SCHEMBL427402 | 0.87 | ALDH1A1 (0.63) | ALDH1A1KDM4EKMT2AMEN1HSP90AA1 | |
| SCHEMBL31391972 | 0.87 | RAB9A (0.53) | ALDH1A1KDM4EKMT2AMEN1HSP90AA1 | |
| SCHEMBL3435395 | 0.87 | RAB9A (0.53) | ALDH1A1KDM4EKMT2AMEN1HSP90AA1 | |
| SCHEMBL8738554 | 0.85 | KDM4E (0.61) | ALDH1A1KDM4EKMT2AMEN1HSP90AA1 | |
| SCHEMBL14638064 | 0.85 | HSP90AA1 (0.67) | ALDH1A1KDM4EKMT2AMEN1HSP90AA1 | |
| SCHEMBL31379759 | 0.85 | ALDH1A1 (0.51) | ALDH1A1KDM4EKMT2AMEN1HSP90AA1 | |
| SCHEMBL8395110 | 0.85 | ALDH1A1 (0.50) | ALDH1A1KDM4EKMT2AMEN1HSP90AA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115368363-A | Chiral or racemic pyrimido-diazacycloheptanone compound and preparation method and application thereof | 中山大学 | 2022-11-22 | — | — | CN | claimed |
| CN-115974845-B | Preparation method of Ornitinib intermediate | 奥锐特药业股份有限公司 | 2024-09-20 | — | — | CN | disclosed |
| WO-2024046471-A1 | USP1 INHIBITOR | 上海齐鲁制药研究中心有限公司 | 2024-03-07 | — | — | WO | disclosed |
| CN-116120287-A | Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein | 勃林格殷格翰国际有限公司 | 2023-05-16 | — | — | CN | disclosed |
| CN-115974845-A | Preparation method of oxitinib intermediate | 奥锐特药业股份有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-113549092-B | Tricyclic kinase inhibitors | 山东轩竹医药科技有限公司 | 2022-10-18 | — | — | CN | disclosed |
| WO-2022188735-A1 | HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS | GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) | 2022-09-15 | — | — | WO | disclosed |