Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 2/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19664922 | 0.84 | TDP1 (0.42) | TDP1CYP3A4KDM4EGAAESR1 | |
| SCHEMBL19305535 | 0.82 | TDP1 (0.41) | TDP1CYP3A4KDM4EGAAESR1 | |
| SCHEMBL13107428 | 0.79 | DNMT1 (0.38) | TDP1CYP3A4KDM4ELMNAMAPT | |
| SCHEMBL10700827 | 0.79 | CYP3A4 (0.50) | TDP1CYP3A4KDM4EGAAESR1 | |
| SCHEMBL1768199 | 0.78 | TDP1 (0.41) | TDP1CYP3A4KDM4EGAAESR1 | |
| SCHEMBL608536 | 0.78 | ALDH1A1 (0.50) | ESR2LMNAMAPTHTTALOX5 | |
| SCHEMBL28152682 | 0.76 | TDP1 (0.42) | TDP1CYP3A4KDM4EGAAESR1 | |
| Biphenyl SCHEMBL28876393 | 0.75 | ALDH1A1 (0.56) | TDP1CYP3A4ESR2LMNAMAPT | |
| Water SCHEMBL28835132 | 0.75 | LMNA (0.48) | ESR2LMNAMAPTHTTALOX5 | |
| SCHEMBL28710407 | 0.75 | LMNA (0.48) | ESR2LMNAMAPTHTTALOX5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111196808-B | Diazabicyclo compounds and their use | 南京圣和药业股份有限公司 | 2022-10-18 | — | — | CN | disclosed |