Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | EGFR | P00533 | 4/20 | 0.49 |
| ▸ | FGFR1 | P11362 | 4/20 | 0.49 |
| ▸ | KDR | P35968 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL29664327 | 0.88 | GAA (0.53) | HPGDEGFRFGFR1KDRMAPT | |
| SCHEMBL29664287 | 0.84 | DRD2 (0.46) | NPC1ALDH1A1RAB9AGAAMEN1 | |
| SCHEMBL29664147 | 0.83 | EGFR (0.52) | EGFRFGFR1KDRMAPTKDM4E | |
| SCHEMBL29664519 | 0.82 | GAA (0.43) | EGFRFGFR1KDRMAPTALDH1A1 | |
| Diphenylamine SCHEMBL9215415 | 0.74 | HPGD (0.94) | HPGDMAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL19248968 | 0.74 | GAA (0.53) | HPGDEGFRFGFR1KDRMAPT | |
| SCHEMBL7028384 | 0.73 | MAPT (0.47) | HPGDMAPTKDM4ENPC1ALDH1A1 | |
| SCHEMBL24137168 | 0.72 | HPGD (1.00) | HPGDMAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL172875 | 0.72 | HPGD (1.00) | HPGDMAPTNPC1ALDH1A1RAB9A | |
| SCHEMBL9461706 | 0.72 | HPGD (1.00) | HPGDMAPTNPC1ALDH1A1RAB9A |
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 |