Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28112757 | 0.80 | KDM4E (0.49) | GBA1MAPTTP53KDM4EALDH1A1 | |
| SCHEMBL15084465 | 0.77 | MAPT (0.45) | MAPTTP53KDM4EALDH1A1GFER | |
| SCHEMBL15069634 | 0.70 | HSD17B10 (0.44) | MAPTTP53KDM4EALDH1A1GFER | |
| SCHEMBL22057586 | 0.68 | RXRA (0.50) | GBA1MAPTTP53KDM4EALDH1A1 | |
| SCHEMBL10426596 | 0.66 | GBA1 (0.43) | GBA1MAPTTP53KDM4EALDH1A1 | |
| SCHEMBL18685981 | 0.66 | ALOX15 (0.52) | MAPTTP53ALDH1A1GFERHSD17B10 | |
| SCHEMBL15067907 | 0.65 | MAPT (0.43) | MAPTTP53KDM4EALDH1A1GFER | |
| SCHEMBL15084483 | 0.64 | MAPT (0.43) | MAPTTP53KDM4EALDH1A1GFER | |
| SCHEMBL11742569 | 0.64 | GFER (0.58) | MAPTTP53KDM4EALDH1A1GFER | |
| SCHEMBL6918015 | 0.63 | GFER (0.50) | MAPTTP53KDM4EALDH1A1GFER |
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-106083849-A | The quaternary condensed or five-membered ring pyrido phthalazone compounds as PARP inhibitor | 百济神州有限公司 | 2016-11-09 | — | — | CN | disclosed |