Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 1/20 | 0.52 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.52 |
| ▸ | ROS1 | P08922 | 1/20 | 0.52 |
| ▸ | MARK3 | P27448 | 1/20 | 0.52 |
| ▸ | LTK | P29376 | 1/20 | 0.52 |
| ▸ | FLT4 | P35916 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.52 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.52 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.52 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.52 |
| ▸ | TDP2 | O95551 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 2/20 | 0.49 |
| ▸ | S100A4 | P26447 | 1/20 | 0.44 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL3129344 | 1.00 | METAP1 (0.52) | METAP1CHEK2ROS1MARK3LTK | |
| SCHEMBL4826135 | 0.93 | METAP1 (0.53) | METAP1CHEK2ROS1MARK3LTK | |
| SCHEMBL28126153 | 0.93 | METAP1 (0.57) | METAP1CHEK2ROS1MARK3LTK | |
| SCHEMBL40823 | 0.93 | METAP1 (0.57) | METAP1CHEK2ROS1MARK3LTK | |
| SCHEMBL3165396 | 0.93 | CHEK2 (0.57) | METAP1CHEK2ROS1MARK3LTK | |
| SCHEMBL12117371 | 0.90 | CHEK2 (0.55) | METAP1CHEK2ROS1MARK3LTK | |
| SCHEMBL27619851 | 0.90 | METAP1 (0.55) | METAP1CHEK2ROS1MARK3LTK | |
| Ammonia Solution, Strong SCHEMBL28144371 | 0.90 | METAP1 (0.55) | METAP1CHEK2ROS1MARK3LTK | |
| SCHEMBL23542831 | 0.86 | L3MBTL1 (0.56) | METAP1CHEK2ROS1MARK3LTK | |
| SCHEMBL415882 | 0.86 | ALDH1A1 (0.59) | METAP1CHEK2ROS1MARK3LTK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110801858-A | Catalyst for preparing carbonyl compound by catalyzing benzyl compound oxidation, preparation method and application thereof | 中国科学院山西煤炭化学研究所 | 2020-02-18 | — | — | CN | claimed |
| CN-110801858-B | Catalyst for preparing carbonyl compound by catalyzing benzyl compound oxidation, preparation method and application thereof | 中国科学院山西煤炭化学研究所 | 2021-12-07 | — | — | CN | disclosed |
| CN-110801858-A | Catalyst for preparing carbonyl compound by catalyzing benzyl compound oxidation, preparation method and application thereof | 中国科学院山西煤炭化学研究所 | 2020-02-18 | — | — | CN | disclosed |