Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 4/20 | 0.41 |
| ▸ | JAK2 | O60674 | 3/20 | 0.41 |
| ▸ | JAK1 | P23458 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL465699 | 0.85 | G6PD (0.55) | PLK1GAACHEK1MAP4K4KDM4E | |
| SCHEMBL40536 | 0.83 | ALDH1A1 (0.54) | GAACHEK1MAP4K4KDM4EALDH1A1 | |
| SCHEMBL5252014 | 0.82 | PLK1 (0.52) | PLK1GAAKDM4EALDH1A1MAPT | |
| SCHEMBL4666198 | 0.82 | GAA (0.59) | PLK1GAACHEK1MAP4K4TYK2 | |
| SCHEMBL30064209 | 0.82 | GAA (0.59) | PLK1GAACHEK1MAP4K4TYK2 | |
| SCHEMBL31038153 | 0.81 | PLK1 (0.50) | PLK1GAAKDM4EALDH1A1MAPT | |
| SCHEMBL635088 | 0.81 | PLK1 (0.50) | PLK1GAAKDM4EALDH1A1MAPT | |
| SCHEMBL19416407 | 0.81 | PLK1 (0.50) | PLK1GAACHEK1MAP4K4TYK2 | |
| SCHEMBL3341725 | 0.81 | PLK1 (0.50) | PLK1GAACHEK1MAP4K4TYK2 | |
| Hydrochloric Acid SCHEMBL29001816 | 0.80 | GAA (0.57) | PLK1GAACHEK1MAP4K4TYK2 |
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-104230831-B | As PI3 kinases and the triaizine compounds of mTOR inhibitors | 惠氏有限责任公司 | 2016-08-24 | — | — | CN | disclosed |