Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNC | P24863 | 1/20 | 0.52 |
| ▸ | CDK8 | P49336 | 1/20 | 0.52 |
| ▸ | ROS1 | P08922 | 1/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GLS | O94925 | 2/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.46 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30343669 | 0.88 | CCNC (0.52) | CCNCCDK8KDM4EMAPKAPK2KMT2A | |
| SCHEMBL837578 | 0.84 | TDP1 (0.64) | ROS1RPS6KB1KDM4EMAPKAPK2KMT2A | |
| SCHEMBL30636331 | 0.84 | TDP1 (0.64) | ROS1RPS6KB1KDM4EMAPKAPK2KMT2A | |
| Hydrochloric Acid SCHEMBL3714409 | 0.83 | TDP1 (0.62) | ROS1RPS6KB1KDM4EMAPKAPK2KMT2A | |
| SCHEMBL2849208 | 0.81 | CCNC (0.48) | CCNCCDK8KMT2APARP1CYP1A2 | |
| SCHEMBL30873960 | 0.81 | CCNC (0.48) | CCNCCDK8KMT2APARP1CYP1A2 | |
| SCHEMBL21350520 | 0.80 | CCNC (0.52) | CCNCCDK8ALDH1A1CYP1A2FFAR1 | |
| SCHEMBL6965122 | 0.80 | CYP3A4 (0.50) | ROS1RPS6KB1KDM4EMAPKAPK2KMT2A | |
| SCHEMBL1830568 | 0.80 | KDM4E (0.55) | ROS1RPS6KB1KDM4EMAPKAPK2KMT2A | |
| SCHEMBL30307853 | 0.80 | TDP1 (0.67) | KDM4EKMT2APARP1CYP1A2MEN1 |
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-2010117090-A1 | NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-14 | — | — | WO | disclosed |