Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 7/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 7/20 | 0.47 |
| ▸ | RELA | Q04206 | 7/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4426330 | 1.00 | NFKB1 (0.47) | NFKB1NFKB2RELAKMT2AMEN1 | |
| SCHEMBL6014844 | 0.90 | NFKB1 (0.43) | NFKB1NFKB2RELAKMT2AMEN1 | |
| SCHEMBL14475704 | 0.87 | NFKB1 (0.43) | NFKB1NFKB2RELAKMT2AALDH1A1 | |
| SCHEMBL28572940 | 0.85 | NFKB1 (0.51) | NFKB1NFKB2RELAKMT2ABTK | |
| SCHEMBL2134159 | 0.85 | NFKB1 (0.51) | NFKB1NFKB2RELAKMT2ABTK | |
| SCHEMBL2134157 | 0.85 | NFKB1 (0.51) | NFKB1NFKB2RELAKMT2ABTK | |
| SCHEMBL4146153 | 0.85 | NFKB1 (0.51) | NFKB1NFKB2RELAKMT2ABTK | |
| SCHEMBL31454795 | 0.85 | NFKB1 (0.51) | NFKB1NFKB2RELAKMT2ABTK | |
| SCHEMBL12951314 | 0.85 | NFKB1 (0.51) | NFKB1NFKB2RELAKMT2ABTK | |
| SCHEMBL13334908 | 0.85 | NFKB1 (0.51) | NFKB1NFKB2RELAKMT2ABTK |
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 4 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 |
| EP-1040094-B9 | SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS | BIOCRYST PHARM INC (US) | 2015-09-09 | — | — | EP | disclosed |
| EP-1040094-B1 | SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS | BIOCRYST PHARM INC (US) | 2009-03-18 | — | — | EP | disclosed |
| 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 |