Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20170535 | 1.00 | PKM (0.36) | PKMNOTUMALDH1A1 | |
| SCHEMBL19969059 | 0.88 | NOTUM (0.39) | NOTUM | |
| SCHEMBL20170529 | 0.79 | NOTUM (0.39) | NOTUM | |
| SCHEMBL16561751 | 0.78 | PKM (0.38) | PKMALDH1A1 | |
| SCHEMBL16561722 | 0.72 | PKM (0.41) | PKMALDH1A1 | |
| SCHEMBL18736433 | 0.72 | PKM (0.41) | PKMALDH1A1 | |
| SCHEMBL20170524 | 0.72 | PKM (0.41) | PKMALDH1A1 | |
| SCHEMBL20170530 | 0.72 | VSIR (0.34) | NOTUM | |
| SCHEMBL3822232 | 0.71 | NOTUM (0.37) | NOTUM | |
| SCHEMBL20057146 | 0.70 | BMP1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3041828-B1 | 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE DERIVATIVES AS IMMUNOMODULATORS | AURIGENE DISCOVERY TECH LTD (IN) | 2018-05-23 | — | — | EP | disclosed |