Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 6/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.37 |
| ▸ | SRC | P12931 | 3/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MPI | P34949 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL372102 | 0.75 | PIM1 (0.43) | ESR1ESR2SRCHIF1AEPAS1 | |
| SCHEMBL12610344 | 0.74 | KDM4E (0.41) | ESR1ESR2BACE1KDM4EMAPT | |
| SCHEMBL29032121 | 0.72 | SRC (0.40) | ESR1ESR2SRCHIF1AEPAS1 | |
| SCHEMBL2065679 | 0.71 | TRPA1 (0.48) | TRPA1ESR1ESR2BACE1PIM1 | |
| SCHEMBL858277 | 0.67 | TRPA1 (0.48) | TRPA1ESR1ESR2BACE1KDM4E | |
| SCHEMBL30026897 | 0.67 | TRPA1 (0.48) | TRPA1ESR1ESR2BACE1KDM4E | |
| SCHEMBL9755041 | 0.67 | GABRA1 (0.48) | ESR1ESR2BACE1KDM4EGAA | |
| SCHEMBL3256463 | 0.67 | GABRA1 (0.36) | GABRA1GABRB2 | |
| SCHEMBL5589782 | 0.66 | GABRA1 (0.46) | TRPA1ESR1ESR2BACE1GABRA1 | |
| SCHEMBL5195607 | 0.66 | TRPA1 (0.41) | TRPA1ESR1ESR2ALDH1A1GABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991005605-A1 | CYCLODEXTRIN LABELS FOR IMMUNOASSAY AND BIOCHEMICAL ANALYSIS | KOSAK KENNETH M (US) | 1991-05-02 | — | — | WO | disclosed |
| WO-1991002040-A1 | CYCLODEXTRIN LABELS FOR NUCLEIC ACID AND BIOCHEMICAL ANALYSIS | KOSAK KENNETH M (US) | 1991-02-21 | — | — | WO | disclosed |