Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 6/20 | 0.45 |
| ▸ | CES1 | P23141 | 5/20 | 0.45 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | DRD1 | P21728 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD5 | P21918 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.39 |
| ▸ | UNG | P13051 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL10586919 | 0.85 | ALDH1A1 (0.51) | BCAT2ALDH1A1DRD1DRD2DRD4 | |
| Benzene SCHEMBL28343003 | 0.84 | BCAT2 (0.55) | CES2CES1BCAT2ALDH1A1MEN1 | |
| Biphenyl SCHEMBL28340553 | 0.84 | BCAT2 (0.55) | CES2CES1BCAT2ALDH1A1MEN1 | |
| SCHEMBL27676197 | 0.84 | BCAT2 (0.59) | CES2CES1BCAT2ALDH1A1MEN1 | |
| SCHEMBL30277841 | 0.84 | BCAT2 (0.59) | CES2CES1BCAT2ALDH1A1MEN1 | |
| SCHEMBL9597954 | 0.83 | KDM4E (0.50) | BCAT2ALDH1A1DRD1DRD2DRD4 | |
| SCHEMBL29951779 | 0.83 | KDM4E (0.50) | BCAT2ALDH1A1DRD1DRD2DRD4 | |
| SCHEMBL28271046 | 0.80 | CES2 (0.68) | CES2CES1ALDH1A1CYP2A6KMT2A | |
| SCHEMBL981885 | 0.80 | CES2 (0.63) | CES2CES1BCAT2MEN1KMT2A | |
| SCHEMBL28864516 | 0.80 | CES2 (0.63) | CES2CES1BCAT2MEN1KMT2A |
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-115975138-A | Microporous covalent organic framework material based on quinoxaline and imine bond connection and preparation method thereof | 北京理工大学 | 2023-04-18 | — | — | CN | claimed |
| CN-115975138-A | Microporous covalent organic framework material based on quinoxaline and imine bond connection and preparation method thereof | 北京理工大学 | 2023-04-18 | — | — | CN | disclosed |
| CN-115975138-A | Microporous covalent organic framework material based on quinoxaline and imine bond connection and preparation method thereof | 北京理工大学 | 2023-04-18 | — | — | CN | disclosed |