Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 3/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25391936 | 0.91 | PLA2G7 (0.50) | PLA2G7ALDH1A1LMNACASP1KDM1A | |
| SCHEMBL8118214 | 0.77 | ALDH1A1 (0.46) | PLA2G7ALDH1A1LMNACASP1KDM1A | |
| Pyridine SCHEMBL27895751 | 0.76 | ABL1 (0.60) | ALDH1A1SMN1; SMN2HTTABL1BCR | |
| Ammonia Solution, Strong SCHEMBL4893301 | 0.76 | NPC1 (0.44) | PLA2G7ALDH1A1LMNACYP3A4KDM4E | |
| SCHEMBL25393432 | 0.76 | PLA2G7 (0.50) | PLA2G7ALDH1A1LMNACASP1KDM1A | |
| SCHEMBL31231626 | 0.75 | CASP1 (0.44) | PLA2G7ALDH1A1LMNACASP1TSHR | |
| Ammonia Solution, Strong SCHEMBL4903577 | 0.74 | ABL1 (0.45) | PLA2G7ALDH1A1CYP3A4KDM4EMAPT | |
| SCHEMBL22206280 | 0.74 | ABL1 (0.63) | CYP3A4HSP90AA1HSP90AB1ABL1BCR | |
| Ammonia Solution, Strong SCHEMBL2693849 | 0.73 | ABL1 (0.62) | HSP90AA1HSP90AB1ABL1BCR | |
| SCHEMBL25395438 | 0.72 | PLA2G7 (0.42) | PLA2G7ALDH1A1LMNACASP1TSHR |
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-108285455-A | 4 beta-aminos replace podophyllotoxin derivative and its preparation method and application | 汤亚杰 | 2018-07-17 | — | — | CN | disclosed |