Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | GRM4 | Q14833 | 7/20 | 0.46 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.45 |
| ▸ | AXL | P30530 | 1/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.45 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.44 |
| ▸ | MECP2 | P51608 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23144535 | 1.00 | MAOA (0.53) | MAOATSHRMEN1KMT2ANPC1 | |
| SCHEMBL23144559 | 0.94 | MAOA (0.55) | MAOATSHRMEN1KMT2ANPC1 | |
| SCHEMBL29664328 | 0.88 | MKNK1 (0.50) | MAOAMEN1KMT2ANPC1RAB9A | |
| SCHEMBL23144521 | 0.88 | MKNK1 (0.50) | MAOAMEN1KMT2ANPC1RAB9A | |
| SCHEMBL23144544 | 0.86 | GRM4 (0.47) | MAOAMEN1KMT2ANPC1RAB9A | |
| SCHEMBL29664194 | 0.86 | MAP4K4 (0.44) | MAOAMEN1KMT2ANPC1RAB9A | |
| SCHEMBL23144576 | 0.86 | MAP4K4 (0.44) | MAOAMEN1KMT2ANPC1RAB9A | |
| SCHEMBL29664364 | 0.86 | GRM4 (0.47) | MAOAMEN1KMT2ANPC1RAB9A | |
| SCHEMBL23144557 | 0.83 | NTRK1 (0.57) | MAOATSHRMEN1KMT2ANPC1 | |
| SCHEMBL23144571 | 0.83 | MAPKAPK2 (0.56) | TSHRMEN1KMT2ANPC1RAB9A |
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 2 patents. 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 |
| EP-4015506-A2 | COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING NOVEL TRIFLUOROMETHYL PHENYL PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT | Korea Institute of Radiological & Medical Sciences (KR) | 2022-06-22 | — | — | EP | disclosed |