Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | ESRRG | P62508 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ESRRB | O95718 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5580940 | 0.89 | BLM (0.50) | BLMESRRGCYP3A4KDM4EALDH1A1 | |
| SCHEMBL5580942 | 0.89 | BLM (0.50) | BLMESRRGCYP3A4KDM4EALDH1A1 | |
| SCHEMBL4328760 | 0.81 | BLM (0.57) | BLMESRRGCYP3A4KDM4EALDH1A1 | |
| SCHEMBL22033119 | 0.79 | BLM (0.56) | BLMCYP3A4KDM4EALDH1A1LMNA | |
| SCHEMBL22033112 | 0.77 | BLM (0.53) | BLMCYP3A4KDM4EALDH1A1LMNA | |
| SCHEMBL25583339 | 0.76 | BLM (0.59) | BLMESRRGCYP3A4KDM4EALDH1A1 | |
| SCHEMBL28577923 | 0.75 | EPHX2 (0.58) | EPHX2LMNAPOLBMAPTPPARG | |
| SCHEMBL10530662 | 0.75 | POLB (0.66) | BLMESRRGCYP3A4KDM4EALDH1A1 | |
| SCHEMBL2573120 | 0.74 | BLM (0.50) | BLMCYP3A4KDM4EALDH1A1LMNA | |
| SCHEMBL2982712 | 0.74 | BLM (0.50) | BLMCYP3A4KDM4EALDH1A1LMNA |
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-106008665-B | Compound with tumor proliferation inhibition function and preparation method and application thereof | 北京大学 | 2021-03-16 | — | — | CN | disclosed |