Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 6/20 | 0.63 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.58 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.57 |
| ▸ | MGAM | O43451 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | SI | P14410 | 2/20 | 0.56 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.56 |
| ▸ | SNCA | P37840 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | KDR | P35968 | 1/20 | 0.50 |
| ▸ | TEK | Q02763 | 1/20 | 0.50 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30531814 | 0.91 | SRC (0.75) | SRCHSP90AA1HSP90AB1ABCG2MGAM | |
| SCHEMBL29050517 | 0.90 | HSP90AA1 (0.65) | SRCHSP90AA1HSP90AB1ABCG2SNCA | |
| SCHEMBL29050563 | 0.87 | SRC (0.63) | SRCHSP90AA1HSP90AB1PTGS2KDR | |
| SCHEMBL30531812 | 0.87 | SRC (0.67) | SRCHSP90AA1HSP90AB1SNCAMEN1 | |
| SCHEMBL30531810 | 0.86 | SRC (0.85) | SRCMGAMGAASIMGAM2 | |
| SCHEMBL30531815 | 0.85 | SRC (0.67) | SRCHSP90AA1HSP90AB1ABCG2MGAM | |
| SCHEMBL29050545 | 0.84 | SRC (0.77) | SRCABCG2MGAMGAASI | |
| SCHEMBL29050566 | 0.84 | SRC (0.77) | SRCABCG2MGAMGAASI | |
| SCHEMBL30531805 | 0.84 | SRC (0.65) | SRCHSP90AA1HSP90AB1SNCAPTGS2 | |
| SCHEMBL30531806 | 0.79 | SRC (0.83) | SRCMGAMGAASIMGAM2 |
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-116589418-A | 2-triazoloethane-1-one/alcohol HSP90/HIF-1 inhibitor and application thereof | 大连理工大学 | 2023-08-15 | — | — | CN | disclosed |