Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.57 |
| ▸ | FLT3 | P36888 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.40 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23144557 | 1.00 | NTRK1 (0.57) | NTRK1FLT3NPC1RAB9AMEN1 | |
| SCHEMBL23144544 | 0.85 | GRM4 (0.47) | NTRK1FLT3NPC1RAB9AMEN1 | |
| SCHEMBL29664364 | 0.85 | GRM4 (0.47) | NTRK1FLT3NPC1RAB9AMEN1 | |
| SCHEMBL29664328 | 0.83 | MKNK1 (0.50) | NTRK1FLT3NPC1RAB9AMEN1 | |
| SCHEMBL23144521 | 0.83 | MKNK1 (0.50) | NTRK1FLT3NPC1RAB9AMEN1 | |
| SCHEMBL23144559 | 0.83 | MAOA (0.55) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL29664332 | 0.83 | MAOA (0.53) | NPC1RAB9AMEN1KMT2AGRM4 | |
| SCHEMBL23144535 | 0.83 | MAOA (0.53) | NPC1RAB9AMEN1KMT2AGRM4 | |
| SCHEMBL23144576 | 0.82 | MAP4K4 (0.44) | NTRK1FLT3NPC1RAB9AMEN1 | |
| SCHEMBL29664194 | 0.82 | MAP4K4 (0.44) | NTRK1FLT3NPC1RAB9AMEN1 |
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-114728909-A | Composition for preventing or treating cancer comprising novel trifluoromethylphenylpyrazole derivative as active ingredient | 韩国原子力医学院 | 2022-07-08 | — | — | CN | disclosed |