Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PPM1B | O75688 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7234184 | 1.00 | ALDH1A1 (0.37) | ALDH1A1HSD17B10LMNAMAPTKDM4E | |
| SCHEMBL17066781 | 1.00 | ALDH1A1 (0.37) | ALDH1A1HSD17B10LMNAMAPTKDM4E | |
| Hydrochloric Acid SCHEMBL4422755 | 0.98 | ALDH1A1 (0.35) | ALDH1A1HSD17B10LMNAMAPTKDM4E | |
| Hydrochloric Acid SCHEMBL4415131 | 0.98 | ALDH1A1 (0.35) | ALDH1A1HSD17B10LMNAMAPTKDM4E | |
| Hydrochloric Acid SCHEMBL6840092 | 0.98 | ALDH1A1 (0.35) | ALDH1A1HSD17B10LMNAMAPTKDM4E | |
| SCHEMBL14475702 | 0.83 | ALDH1A1 (0.44) | ALDH1A1HSD17B10LMNAKDM4EHPGD | |
| SCHEMBL25602876 | 0.81 | TSHR (0.35) | TSHR | |
| SCHEMBL25603034 | 0.81 | POLB (0.49) | LMNATSHRCYP1A2CYP2D6 | |
| SCHEMBL24471528 | 0.79 | ALDH1A1 (0.38) | ALDH1A1HSD17B10LMNAMAPTKDM4E | |
| SCHEMBL6821920 | 0.79 | PPM1B (0.42) | ALDH1A1HSD17B10LMNAMAPTKDM4E |
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-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 |