Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25B | P30305 | 5/20 | 0.58 |
| ▸ | S100A4 | P26447 | 5/20 | 0.58 |
| ▸ | NSD2 | O96028 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | BLM | P54132 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TDP2 | O95551 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.45 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6866000 | 0.92 | S100A4 (0.55) | CDC25BS100A4NSD2MEN1BLM | |
| SCHEMBL6867361 | 0.91 | CDC25B (0.54) | CDC25BS100A4NSD2MEN1BLM | |
| SCHEMBL6869667 | 0.90 | CDC25B (0.52) | CDC25BS100A4NSD2MEN1BLM | |
| SCHEMBL6869513 | 0.90 | CDC25B (0.52) | CDC25BS100A4NSD2MEN1BLM | |
| SCHEMBL6869485 | 0.90 | CDC25B (0.52) | CDC25BS100A4NSD2MEN1BLM | |
| SCHEMBL6866105 | 0.89 | S100A4 (0.61) | CDC25BS100A4NSD2MEN1BLM | |
| SCHEMBL31362908 | 0.75 | S100A4 (1.00) | CDC25BS100A4NSD2MEN1BLM | |
| SCHEMBL1612462 | 0.75 | S100A4 (1.00) | CDC25BS100A4NSD2MEN1BLM | |
| SCHEMBL23567913 | 0.75 | CDC25B (0.74) | CDC25BS100A4NSD2MEN1BLM | |
| SCHEMBL9668944 | 0.73 | CDC25B (0.48) | CDC25BS100A4NSD2TP53MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6818653-B1 | 7-THIOCYANO SUBSTITUENT; REACTING 6,7-DIHALO-5,8-QUINOLINEDIONE AND ANILINE DERIVATIVE; AMINATION | IL JIN COPPER FOIL CORP. (KR) | 2004-11-16 | — | — | US | disclosed |