Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL4414950 | 0.80 | BTK (0.34) | BTKKMT2AMEN1GAAKDM1A | |
| SCHEMBL7232199 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7233626 | 0.77 | SLC6A12 (0.30) | — | |
| SCHEMBL4418062 | 0.76 | KDM1A (0.30) | KDM1A | |
| Trifluoroacetic Acid SCHEMBL7240936 | 0.74 | — | — | |
| SCHEMBL15777845 | 0.71 | BTK (0.61) | BTKKMT2AMEN1GAAKDM1A | |
| Trifluoroacetic Acid SCHEMBL7233746 | 0.68 | F10 (0.30) | — | |
| SCHEMBL7232884 | 0.67 | KDM1A (0.33) | BTKKDM1A | |
| SCHEMBL6882426 | 0.67 | KDM1A (0.33) | BTKKDM1A | |
| SCHEMBL5592105 | 0.66 | BTK (0.55) | BTKKMT2AMEN1GAAKDM1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6562861-B1 | (1R,3R,4R,1'S)-(-)-(1'-acetylamino-2 '-ethyl)butyl-4-(aminoimino)methylaminocyclopentan-1-carboxylic acid was prepd. and tested in vitro as neuraminidase inhibitor (IC50 less-than 1.mu.M). Bactericides or viricides | BIOCRYST PHARMACEUTICALS, INC. | 2003-05-13 | — | — | US | claimed |
| US-6562861-B1 | (1R,3R,4R,1'S)-(-)-(1'-acetylamino-2 '-ethyl)butyl-4-(aminoimino)methylaminocyclopentan-1-carboxylic acid was prepd. and tested in vitro as neuraminidase inhibitor (IC50 less-than 1.mu.M). Bactericides or viricides | BIOCRYST PHARMACEUTICALS, INC. | 2003-05-13 | — | — | US | disclosed |