Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | RIPK3 | Q9Y572 | 2/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28513382 | 0.80 | PARP1 (0.38) | PARP1PARP2PIM1PIM2EPHX2 | |
| SCHEMBL28499172 | 0.80 | PARP11 (0.37) | PARP1PARP2PIM1PIM2 | |
| SCHEMBL28655211 | 0.80 | PARP11 (0.37) | PARP1PARP2PIM1PIM2 | |
| SCHEMBL28658786 | 0.80 | PARP11 (0.37) | PARP1PARP2PIM1PIM2 | |
| SCHEMBL22713708 | 0.79 | PARP1 (0.34) | PARP1PARP2RIPK3PIM1PIM2 | |
| SCHEMBL22713760 | 0.79 | PARP1 (0.34) | PARP1PARP2RIPK3PIM1PIM2 | |
| SCHEMBL28654294 | 0.75 | S1PR2 (0.38) | PIM1PIM2MAPTHPGDKDM4E | |
| SCHEMBL28499175 | 0.75 | S1PR2 (0.38) | PIM1PIM2MAPTHPGDKDM4E | |
| SCHEMBL22725872 | 0.73 | AOC3 (0.36) | PARP1PARP2RIPK3 | |
| SCHEMBL28979254 | 0.70 | KIF11 (0.33) | EPHX2MAPTHPGDALDH1A1TSHR |
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-109988109-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof | 广东东阳光药业有限公司 | 2020-12-29 | — | — | CN | disclosed |