Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.65 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.65 |
| ▸ | SRC | P12931 | 6/20 | 0.64 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | APEX1 | P27695 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | SNCA | P37840 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 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 | 0.92 | SRC (0.75) | HSP90AA1HSP90AB1SRCSNCAMEN1 | |
| SCHEMBL30531809 | 0.90 | SRC (0.63) | HSP90AA1HSP90AB1SRCSNCAMEN1 | |
| SCHEMBL30531810 | 0.87 | SRC (0.85) | SRCALDH1A1LMNASNCAMEN1 | |
| SCHEMBL30531815 | 0.86 | SRC (0.67) | HSP90AA1HSP90AB1SRCSNCAMEN1 | |
| SCHEMBL30531812 | 0.86 | SRC (0.67) | HSP90AA1HSP90AB1SRCSNCAMEN1 | |
| SCHEMBL29050545 | 0.85 | SRC (0.77) | SRCALDH1A1LMNASNCAMEN1 | |
| SCHEMBL29050566 | 0.85 | SRC (0.77) | SRCSNCAMEN1NPC1RAB9A | |
| SCHEMBL30531805 | 0.85 | SRC (0.65) | HSP90AA1HSP90AB1SRCSNCAMEN1 | |
| SCHEMBL30531806 | 0.80 | SRC (0.83) | SRCALDH1A1RECQLMEN1NPC1 | |
| SCHEMBL22276931 | 0.77 | MEN1 (0.56) | HSP90AA1HSP90AB1SRCALDH1A1SNCA |
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 |