Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CHKA | P35790 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21551702 | 0.83 | KDM4E (0.45) | MC4RSMN1; SMN2GAALMNACHKA | |
| SCHEMBL13923299 | 0.80 | MC4R (0.52) | TNKSPARP1TNKS2MC4RSMN1; SMN2 | |
| SCHEMBL15219267 | 0.79 | CXCR4 (0.45) | TNKSPARP1TNKS2LMNAPTPN1 | |
| SCHEMBL19145771 | 0.79 | SMN1; SMN2 (0.47) | SMN1; SMN2GAAKDM4EALDH1A1NPC1 | |
| SCHEMBL27360423 | 0.78 | MC4R (0.46) | MC4RSMN1; SMN2GAALMNACHKA | |
| SCHEMBL26844932 | 0.78 | ALDH1A1 (0.51) | TNKSPARP1TNKS2SMN1; SMN2DRD4 | |
| SCHEMBL20322780 | 0.78 | HDAC6 (0.43) | MC4RLMNACHKAKDM4EALDH1A1 | |
| SCHEMBL12513 | 0.77 | LTA4H (0.45) | MC4RSMN1; SMN2GAALMNACHKA | |
| SCHEMBL21604387 | 0.75 | TNKS (0.37) | TNKSPARP1TNKS2ALDH1A1 | |
| SCHEMBL9607176 | 0.75 | GAA (0.38) | MC4RSMN1; SMN2GAALMNACHKA |
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 |