Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ANPEP | P15144 | 7/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ESRRG | P62508 | 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 | |
|---|---|---|---|---|
| SCHEMBL19262701 | 0.90 | — | — | |
| SCHEMBL159041 | 0.88 | — | — | |
| SCHEMBL15235779 | 0.88 | — | — | |
| SCHEMBL255220 | 0.86 | NPC1 (0.41) | NPC1RAB9AESRRG | |
| SCHEMBL254947 | 0.85 | NPC1 (0.40) | NPC1RAB9AESRRG | |
| SCHEMBL254900 | 0.84 | ANPEP (0.39) | ANPEPNPC1RAB9A | |
| SCHEMBL13267172 | 0.83 | NPC1 (0.41) | ANPEPNPC1RAB9AESRRG | |
| SCHEMBL255108 | 0.80 | ANPEP (0.43) | ANPEPNPC1RAB9AESRRG | |
| SCHEMBL13459333 | 0.79 | NPC1 (0.43) | NPC1RAB9AESRRG | |
| SCHEMBL19262877 | 0.78 | — | — |
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 |