Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CHKA | P35790 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM4B | O94953 | 1/20 | 0.36 |
| ▸ | KDM5C | P41229 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 2/20 | 0.35 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL20160668 | 0.83 | TNKS (0.39) | TNKSPARP1TNKS2KDM4ECHKA | |
| SCHEMBL13729767 | 0.82 | NPSR1 (0.40) | TNKSPARP1TNKS2KDM4EALDH1A1 | |
| SCHEMBL20160885 | 0.82 | NPC1 (0.44) | GAAKDM4EALDH1A1 | |
| SCHEMBL24533977 | 0.81 | NR1H2 (0.46) | GAAKDM4ETDP1CHKAALDH1A1 | |
| SCHEMBL24215668 | 0.81 | CNR2 (0.34) | TNKSPARP1TNKS2 | |
| SCHEMBL4289837 | 0.76 | CHKA (0.55) | GAAKDM4ETDP1CHKAALDH1A1 | |
| SCHEMBL21551702 | 0.74 | KDM4E (0.45) | GAAKDM4ETDP1CHKAALDH1A1 | |
| SCHEMBL1252213 | 0.73 | GAA (0.48) | GAAKDM4ETDP1ALDH1A1MAPT | |
| SCHEMBL31002100 | 0.73 | CHKA (0.46) | KDM4ETDP1CHKAALDH1A1MAPT | |
| SCHEMBL31068350 | 0.72 | TNKS (0.39) | TNKSPARP1TNKS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018086589-A1 | 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES | 上海海雁医药科技有限公司 | 2018-05-17 | — | — | WO | disclosed |