Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | ESRRG | P62508 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | ESRRB | O95718 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19262704 | 0.90 | APP (0.42) | — | |
| SCHEMBL19262705 | 0.90 | APP (0.42) | — | |
| SCHEMBL15235682 | 0.88 | — | — | |
| SCHEMBL15235689 | 0.88 | — | — | |
| SCHEMBL15235774 | 0.88 | — | — | |
| SCHEMBL15235773 | 0.88 | — | — | |
| SCHEMBL158012 | 0.88 | — | — | |
| SCHEMBL255220 | 0.85 | NPC1 (0.41) | ESRRGNPC1RAB9A | |
| SCHEMBL10272722 | 0.83 | NPC1 (0.42) | ESRRGEPHX2HDAC1ESRRBNPC1 | |
| SCHEMBL13984823 | 0.82 | ANPEP (0.48) | ANPEPHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |