Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | ROS1 | P08922 | 1/20 | 0.58 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.58 |
| ▸ | GLS | O94925 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.51 |
| ▸ | MAPK8 | P45983 | 10/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 10/20 | 0.50 |
| ▸ | MAPK9 | P45984 | 9/20 | 0.50 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.49 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL837578 | 1.00 | TDP1 (0.64) | TDP1ROS1RPS6KB1GLSKDM4E | |
| Hydrochloric Acid SCHEMBL3714409 | 0.98 | TDP1 (0.62) | TDP1ROS1RPS6KB1GLSKDM4E | |
| SCHEMBL3714691 | 0.87 | TDP1 (0.64) | TDP1ROS1RPS6KB1GLSKDM4E | |
| SCHEMBL3785081 | 0.85 | ROS1 (0.56) | ROS1RPS6KB1GLSKDM4EMAPKAPK2 | |
| SCHEMBL3721704 | 0.84 | CCNC (0.52) | TDP1ROS1RPS6KB1GLSKDM4E | |
| SCHEMBL4022975 | 0.81 | MAPK8 (0.58) | TDP1ROS1RPS6KB1GLSMAPK8 | |
| Hydrochloric Acid SCHEMBL3941138 | 0.80 | MAPK8 (0.57) | TDP1ROS1RPS6KB1GLSMAPK8 | |
| SCHEMBL4022503 | 0.80 | ROS1 (0.80) | ROS1RPS6KB1GLSMAPK8MAPK10 | |
| SCHEMBL3711732 | 0.79 | TDP1 (0.62) | TDP1ROS1RPS6KB1KDM4EMAPK9 | |
| SCHEMBL30431204 | 0.79 | TDP1 (0.62) | TDP1ROS1RPS6KB1KDM4EMAPK9 |
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-117062804-A | 1, 3-substituted cyclobutyl derivatives and their use | 诺华股份有限公司 | 2023-11-14 | — | — | CN | disclosed |