Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | CHKA | P35790 | 2/20 | 0.38 |
| ▸ | AXL | P30530 | 3/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | 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 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL20160907 | 0.83 | NPC1 (0.44) | LMNAALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL20160565 | 0.83 | TNKS (0.41) | TNKSPARP1TNKS2CHKAAXL | |
| SCHEMBL15214350 | 0.77 | ALDH1A1 (0.39) | LMNAKDM4EALDH1A1SMN1; SMN2GRIN1 | |
| SCHEMBL15198047 | 0.75 | HRH3 (0.46) | KDM4ESMN1; SMN2GRIN1GRIN2B | |
| SCHEMBL12767186 | 0.75 | BCHE (0.38) | TNKSPARP1TNKS2ALDH1A1TLR7 | |
| SCHEMBL12727211 | 0.74 | ALOX5AP (0.39) | TLR7GRIN1GRIN2B | |
| SCHEMBL18713006 | 0.73 | TNKS (0.50) | TNKSPARP1TNKS2CHKAMC4R | |
| SCHEMBL20160541 | 0.73 | TNKS (0.45) | TNKSPARP1TNKS2CHKAMC4R | |
| SCHEMBL21937884 | 0.73 | SMN1; SMN2 (0.40) | CHKAAXLMC4RKDM4AKDM4B | |
| SCHEMBL20261166 | 0.72 | CCR1 (0.37) | GRIN1GRIN2B |
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 |