Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 14/20 | 1.00 |
| ▸ | KDR | P35968 | 7/20 | 0.65 |
| ▸ | HCK | P08631 | 6/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | FGR | P09769 | 1/20 | 0.65 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.65 |
| ▸ | FLT4 | P35916 | 1/20 | 0.65 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.65 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.65 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.65 |
| ▸ | PIK3CD | O00329 | 6/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.53 |
| ▸ | PIK3CB | P42338 | 6/20 | 0.53 |
| ▸ | PIK3CG | P48736 | 6/20 | 0.53 |
| ▸ | PRKDC | P78527 | 6/20 | 0.53 |
| ▸ | ABL1 | P00519 | 5/20 | 0.53 |
| ▸ | EGFR | P00533 | 5/20 | 0.53 |
| ▸ | SRC | P12931 | 5/20 | 0.53 |
| ▸ | MTOR | P42345 | 5/20 | 0.53 |
| ▸ | EPHB4 | P54760 | 5/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL31639650 | 0.99 | RET (0.98) | RETKDRHCKCYP1A2FGR | |
| SCHEMBL18518835 | 0.90 | RET (1.00) | RETKDRHCKCYP1A2FGR | |
| SCHEMBL31639968 | 0.89 | RET (0.82) | RETKDRHCKCYP1A2FGR | |
| SCHEMBL30990479 | 0.83 | RET (0.71) | RETKDRHCKCYP1A2FGR | |
| SCHEMBL18518591 | 0.81 | RET (1.00) | RETKDRHCKCYP1A2FGR | |
| SCHEMBL31639590 | 0.81 | RET (0.73) | RETKDRHCKCYP1A2FGR | |
| SCHEMBL18518263 | 0.81 | RET (1.00) | RETKDRHCKCYP1A2FGR | |
| SCHEMBL18518387 | 0.79 | RET (1.00) | RETKDRHCKCYP1A2FGR | |
| SCHEMBL18518281 | 0.79 | RET (1.00) | RETKDRHCKCYP1A2FGR | |
| SCHEMBL29572311 | 0.79 | RET (1.00) | RETKDRHCKCYP1A2FGR |
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-2017026718-A1 | NOVEL 3-(ISOXAZOL-3-YL)-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUND, WHICH IS RET KINASE INHIBITOR | 한국과학기술연구원 | 2017-02-16 | — | — | WO | disclosed |