Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | TDO2 | P48775 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.47 |
| ▸ | PIM1 | P11309 | 2/20 | 0.47 |
| ▸ | PRKACA | P17612 | 2/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | GSK3B | P49841 | 2/20 | 0.47 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.47 |
| ▸ | PLK4 | O00444 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.46 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.46 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.46 |
| ▸ | PRKCG | P05129 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28338583 | 0.88 | CDC7 (0.58) | CDC7KMT2AIDO1POLBALDH1A1 | |
| SCHEMBL2898117 | 0.82 | IDO1 (0.65) | CDC7IDO1TDO2MAP4K4PIM1 | |
| SCHEMBL4288995 | 0.80 | CDC7 (0.58) | CDC7KMT2AIDO1TDO2MAP4K4 | |
| SCHEMBL4286371 | 0.79 | CDC7 (1.00) | CDC7MAP4K4PIM1PRKACACDK2 | |
| SCHEMBL5049567 | 0.75 | CDC7 (0.60) | CDC7KMT2AIDO1TDO2MAP4K4 | |
| SCHEMBL5051897 | 0.75 | CDC7 (0.60) | CDC7KMT2AIDO1TDO2MAP4K4 | |
| SCHEMBL28327767 | 0.73 | ALDH1A1 (0.42) | CDC7KMT2AALDH1A1KDM4EADORA2A | |
| SCHEMBL4284826 | 0.73 | KMT2A (0.48) | CDC7KMT2AIDO1TDO2POLB | |
| SCHEMBL6358690 | 0.72 | KMT2A (1.00) | KMT2APOLBALDH1A1LMNATSHR | |
| SCHEMBL12787321 | 0.71 | HPGD (0.58) | CDC7KMT2AIDO1TDO2MAP4K4 |
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-110590685-A | Preparation method and application of novel 5-thiocyanate substituted 1,4, 5-trisubstituted 1,2, 3-triazole | 大连理工大学 | 2019-12-20 | — | — | CN | disclosed |