Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 5/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | FLT3 | P36888 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2679771 | 1.00 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9APDGFRBKDR | |
| SCHEMBL24140225 | 0.90 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9APDGFRBKDR | |
| SCHEMBL30736350 | 0.85 | TERT (0.50) | ALDH1A1NPC1RAB9APDGFRBKDR | |
| SCHEMBL21591877 | 0.85 | TERT (0.50) | ALDH1A1NPC1RAB9APDGFRBKDR | |
| SCHEMBL21591884 | 0.85 | TERT (0.50) | ALDH1A1NPC1RAB9APDGFRBKDR | |
| SCHEMBL20049244 | 0.85 | ALDH1A1 (0.47) | ALDH1A1NPC1RAB9APDGFRBKDR | |
| SCHEMBL14437926 | 0.82 | PDGFRB (0.46) | ALDH1A1NPC1RAB9APDGFRBSMN1; SMN2 | |
| SCHEMBL14437925 | 0.82 | PDGFRB (0.46) | ALDH1A1NPC1RAB9APDGFRBSMN1; SMN2 | |
| SCHEMBL103875 | 0.81 | ALDH1A1 (0.42) | ALDH1A1NPC1RAB9APDGFRBKDR | |
| SCHEMBL28603223 | 0.81 | ALDH1A1 (0.42) | ALDH1A1NPC1RAB9APDGFRBKDR |
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-115028624-B | Quinoxaline skeleton NN oxazoline ligand and synthetic method and application thereof | 上海师范大学 | 2023-10-27 | — | — | CN | disclosed |
| CN-116410146-A | One-step process for converting polyols to nitrogen-containing heterocycles using heterogeneous metal catalysts | 浙江大学 | 2023-07-11 | — | — | CN | disclosed |
| CN-113087674-B | Method for synthesizing quinoxaline compound under catalysis of visible light induced photosensitizer | 河南大学 | 2022-06-17 | — | — | CN | disclosed |