Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 3/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.38 |
| ▸ | RORC | P51449 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | IGF1R | P08069 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.35 |
| ▸ | TEK | Q02763 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28878087 | 0.89 | NOTUM (0.42) | DGAT1PTPN1NPC1EGFRIGF1R | |
| SCHEMBL30166598 | 0.83 | NPC1 (0.41) | DGAT1PTPN1NPC1SLC22A12KLKB1 | |
| SCHEMBL23855061 | 0.81 | NPC1 (0.40) | NPC1SLC22A12EGFRIGF1RSRC | |
| SCHEMBL28878109 | 0.81 | DGAT1 (0.41) | DGAT1PTPN1NPC1EGFRIGF1R | |
| SCHEMBL26581238 | 0.77 | NPC1 (0.47) | PTPN1NPC1SLC22A12EGFRIGF1R | |
| SCHEMBL23809366 | 0.75 | SLC22A12 (0.45) | PTPN1NPC1SLC22A12EGFRIGF1R | |
| SCHEMBL23392592 | 0.75 | MCL1 (0.49) | NPC1KLKB1MCL1PPARA | |
| SCHEMBL29653695 | 0.75 | MCL1 (0.49) | NPC1KLKB1MCL1PPARA | |
| SCHEMBL25421253 | 0.74 | DGAT1 (0.41) | DGAT1PTPN1KLKB1 | |
| SCHEMBL23551502 | 0.72 | CNR2 (0.40) | NPC1KLKB1MCL1 |
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-115260180-B | Triazole condensed ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-115260180-A | Triazole fused ring containing derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-11-01 | — | — | CN | disclosed |