Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 17/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19840998 | 0.82 | SMN1; SMN2 (0.37) | NPC1RAB9A | |
| SCHEMBL19841133 | 0.77 | HDAC3 (0.31) | — | |
| SCHEMBL19840809 | 0.76 | EPHX2 (0.41) | NPC1RAB9A | |
| SCHEMBL19841033 | 0.76 | NPC1 (0.39) | NPC1RAB9A | |
| SCHEMBL19841032 | 0.76 | NPC1 (0.40) | NPC1RAB9A | |
| SCHEMBL19840734 | 0.75 | — | — | |
| SCHEMBL19841109 | 0.75 | HSP90AA1 (0.33) | — | |
| SCHEMBL19841076 | 0.75 | RAB9A (0.38) | NPC1RAB9A | |
| SCHEMBL19841006 | 0.75 | — | — | |
| SCHEMBL19840928 | 0.74 | LMNA (0.37) | NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-9884832-B2 | Inhibitors targeting drug-resistant influenza A | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-02-06 | — | — | US | disclosed |