Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6491001 | 0.84 | PARP1 (0.52) | PARP1L3MBTL1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7564041 | 0.76 | HSP90AA1 (0.51) | PARP1L3MBTL1KDM4ENR3C2HSP90AA1 | |
| SCHEMBL29442876 | 0.76 | NR3C2 (0.44) | NR3C2KDM5AKDM4CKDM5B | |
| SCHEMBL12948310 | 0.76 | L3MBTL1 (0.55) | PARP1L3MBTL1KDM4EALDH1A1HPGD | |
| SCHEMBL535668 | 0.76 | L3MBTL1 (0.58) | PARP1L3MBTL1KDM4EALDH1A1HPGD | |
| SCHEMBL30862009 | 0.76 | KCNH2 (0.48) | SMN1; SMN2NR3C2 | |
| SCHEMBL21678221 | 0.75 | L3MBTL1 (0.54) | PARP1L3MBTL1KDM4EALDH1A1MPO | |
| SCHEMBL580683 | 0.74 | MRGPRX4 (0.55) | MRGPRX4L3MBTL1KDM4EALDH1A1HPGD | |
| SCHEMBL28677368 | 0.74 | L3MBTL1 (0.57) | PARP1L3MBTL1KDM4EALDH1A1HPGD | |
| SCHEMBL9937243 | 0.74 | MRGPRX4 (0.54) | MRGPRX4L3MBTL1KDM4EALDH1A1HPGD |
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-103261156-B | For treating the noval chemical compound of neurodegenerative disease | 鲁汶天主教大学研究开发部 | 2016-12-28 | — | — | CN | disclosed |