Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | S100A4 | P26447 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15307700 | 1.00 | TDP1 (0.34) | TDP1KDM4ES100A4CDC25BTDP2 | |
| SCHEMBL1021274 | 0.77 | S100A4 (0.41) | TDP1KDM4ES100A4CDC25BTDP2 | |
| SCHEMBL27477220 | 0.77 | S100A4 (0.33) | TDP1KDM4ES100A4CDC25BTDP2 | |
| SCHEMBL28853315 | 0.76 | CYP2C9 (0.36) | KDM4EKMT2A | |
| SCHEMBL15405526 | 0.76 | S100A4 (0.40) | TDP1KDM4ES100A4CDC25BTDP2 | |
| SCHEMBL19423556 | 0.76 | S100A4 (0.40) | TDP1KDM4ES100A4CDC25BTDP2 | |
| SCHEMBL30503628 | 0.76 | S100A4 (0.40) | TDP1KDM4ES100A4CDC25BTDP2 | |
| Hydrochloric Acid SCHEMBL31127657 | 0.76 | S100A4 (0.40) | TDP1KDM4ES100A4CDC25BTDP2 | |
| SCHEMBL11084686 | 0.73 | S100A4 (0.34) | TDP1KDM4ES100A4CDC25BTDP2 | |
| SCHEMBL792475 | 0.71 | — | — |
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-117024419-A | Chiral 2-oxazoline-8-imine quinoline compound and metal complex thereof, preparation method and application | 浙江大学 | 2023-11-10 | — | — | CN | disclosed |