Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | NQO2 | P16083 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NCK1 | P16333 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6844954 | 1.00 | CYP1A2 (0.54) | CYP1A2NQO2MAPTLMNARAB9A | |
| SCHEMBL29639029 | 0.91 | CYP1A2 (0.54) | CYP1A2NQO2MAPTLMNARAB9A | |
| SCHEMBL8344116 | 0.91 | CYP1A2 (0.54) | CYP1A2NQO2MAPTLMNARAB9A | |
| SCHEMBL30578800 | 0.91 | CYP1A2 (0.54) | CYP1A2NQO2MAPTLMNARAB9A | |
| SCHEMBL15037485 | 0.84 | PDGFRB (0.45) | CYP1A2NQO2MAPTLMNARAB9A | |
| Ethoxycarbonyl Group SCHEMBL28040931 | 0.81 | TDP1 (0.39) | CYP1A2NQO2MAPTLMNARAB9A | |
| SCHEMBL101566 | 0.79 | KMT2A (0.48) | KDM4EBACE1CCNB2CDK1CCNB1 | |
| SCHEMBL1641255 | 0.79 | PABPC1 (0.44) | CYP1A2NQO2MAPTSMN1; SMN2MAPK1 | |
| SCHEMBL19001484 | 0.79 | NQO2 (0.50) | CYP1A2NQO2MAPTLMNARAB9A | |
| SCHEMBL2629410 | 0.79 | ALDH1A1 (0.46) | MAPTLMNAALDH1A1KDM4ECCNB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |