Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 10/20 | 0.54 |
| ▸ | RET | P07949 | 4/20 | 0.54 |
| ▸ | KDR | P35968 | 3/20 | 0.54 |
| ▸ | STK10 | O94804 | 1/20 | 0.54 |
| ▸ | ABL1 | P00519 | 1/20 | 0.54 |
| ▸ | BRAF | P15056 | 1/20 | 0.54 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.54 |
| ▸ | FLT1 | P17948 | 1/20 | 0.54 |
| ▸ | CDK11B | P21127 | 1/20 | 0.54 |
| ▸ | CDK2 | P24941 | 1/20 | 0.54 |
| ▸ | FLT4 | P35916 | 1/20 | 0.54 |
| ▸ | FLT3 | P36888 | 1/20 | 0.54 |
| ▸ | CDK7 | P50613 | 1/20 | 0.54 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.54 |
| ▸ | CDK3 | Q00526 | 1/20 | 0.54 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.54 |
| ▸ | TEK | Q02763 | 1/20 | 0.54 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.54 |
| ▸ | HIPK1 | Q86Z02 | 1/20 | 0.54 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28222510 | 0.85 | RET (0.52) | KITRETKDRSTK10ABL1 | |
| SCHEMBL12516831 | 0.80 | DDR1 (0.52) | KITDDR1MAP3K7MAP4K2MAPK14 | |
| Fluoromethane SCHEMBL28079300 | 0.79 | RET (0.47) | KITRETKDRSTK10ABL1 | |
| SCHEMBL19986834 | 0.77 | HTT (0.54) | KITRETKDRDDR1MAP3K7 | |
| SCHEMBL14704588 | 0.77 | MAPK14 (0.56) | KITRETKDRBRAFDDR1 | |
| SCHEMBL27910162 | 0.76 | NR1H2 (0.57) | KITRETBRAFCSF1R | |
| SCHEMBL16810188 | 0.76 | DDR1 (0.56) | KITRETKDRDDR1ATM | |
| SCHEMBL15121214 | 0.75 | ABL1 (0.59) | KITRETKDRSTK10ABL1 | |
| SCHEMBL1420613 | 0.75 | CHRM4 (0.67) | KITRETKDRSTK10ABL1 | |
| SCHEMBL20568827 | 0.75 | EPHA2 (0.63) | KITRETKDRSTK10ABL1 |
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-103420977-B | There is the acetylene-derivative of anti-tumor activity | 上海医药集团股份有限公司 | 2016-06-22 | — | — | CN | disclosed |