Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCOA3 | Q9Y6Q9 | 2/20 | 0.45 |
| ▸ | TLR2 | O60603 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.44 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 6/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | CASP3 | P42574 | 2/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29001185 | 0.88 | ERN1 (0.59) | TLR2ERN1TLR1TLR6MEN1 | |
| SCHEMBL28657110 | 0.82 | ERN1 (0.42) | NCOA3TLR2ERN1TLR1TLR6 | |
| SCHEMBL172818 | 0.80 | ERN1 (0.66) | NCOA3TLR2ERN1TLR1TLR6 | |
| SCHEMBL29442477 | 0.80 | ERN1 (0.66) | NCOA3TLR2ERN1TLR1TLR6 | |
| SCHEMBL27942814 | 0.78 | ERN1 (0.53) | NCOA3TLR2ERN1TLR1TLR6 | |
| Salicyladehyde SCHEMBL29001196 | 0.76 | TRIM24 (0.51) | ERN1MEN1KMT2ARAB9ANPC1 | |
| Ethylenediamine SCHEMBL10537022 | 0.76 | ERN1 (0.57) | NCOA3TLR2ERN1TLR1TLR6 | |
| Monoethanolamine SCHEMBL28688060 | 0.75 | ERN1 (0.55) | NCOA3TLR2ERN1TLR1TLR6 | |
| SCHEMBL28072352 | 0.73 | ERN1 (0.50) | NCOA3TLR2ERN1TLR1TLR6 | |
| SCHEMBL27659218 | 0.72 | ERN1 (0.62) | TLR2ERN1TLR1TLR6IGF1R |
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-113583028-B | High cancer cell selectivity anticancer medicine based on metal organic complex and preparation method thereof | 广东石油化工学院 | 2023-05-12 | — | — | CN | disclosed |
| CN-113583028-A | High-cancer-cell-selectivity anticancer drug based on metal organic complex and preparation method thereof | 广东石油化工学院 | 2021-11-02 | — | — | CN | disclosed |