Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIG1 | P18858 | 1/20 | 0.77 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | CTSD | P07339 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3798396 | 0.83 | KDM4E (0.71) | LIG1MEN1KMT2AKDM4EADRB2 | |
| SCHEMBL1428 | 0.83 | LIG1 (0.67) | LIG1MEN1KMT2AKDM4EADRB2 | |
| SCHEMBL5491897 | 0.83 | LIG1 (0.71) | LIG1MEN1KMT2AKDM4ECYP3A4 | |
| SCHEMBL9696302 | 0.83 | LIG1 (0.71) | LIG1MEN1KMT2AKDM4EADRB2 | |
| SCHEMBL22558296 | 0.81 | LIG1 (0.51) | LIG1MEN1KMT2ACTSDKDM4E | |
| SCHEMBL29519569 | 0.81 | LIG1 (0.69) | LIG1MEN1KMT2AKDM4EADRB2 | |
| SCHEMBL40310 | 0.81 | LIG1 (0.69) | LIG1MEN1KMT2AKDM4EADRB2 | |
| SCHEMBL22568236 | 0.81 | LIG1 (0.52) | LIG1MEN1KMT2ACTSDKDM4E | |
| SCHEMBL16193193 | 0.81 | CTSD (0.68) | LIG1MEN1KMT2ACTSDKDM4E | |
| SCHEMBL385145 | 0.81 | LIG1 (0.68) | LIG1MEN1KMT2AKDM4EADRB2 |
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-114008017-A | Covalent organic frameworks and methods of making and using same | 新加坡国立大学 | 2022-02-01 | — | — | CN | claimed |
| CN-114008017-A | Covalent organic frameworks and methods of making and using same | 新加坡国立大学 | 2022-02-01 | — | — | CN | disclosed |