Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | FLT4 | P35916 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7991787 | 0.89 | ALDH1A1 (0.45) | PARP1ALDH1A1MAPTNPSR1HPGD | |
| SCHEMBL7987660 | 0.85 | PARP1 (0.52) | PARP1ALDH1A1MAPTNPSR1HPGD | |
| SCHEMBL7984817 | 0.82 | HPGD (0.50) | PARP1ALDH1A1MAPTNPSR1HPGD | |
| SCHEMBL7984972 | 0.82 | PARP1 (0.49) | PARP1ALDH1A1MAPTNPSR1HPGD | |
| SCHEMBL7983786 | 0.81 | CES2 (0.50) | PARP1ALDH1A1MAPTNPSR1HPGD | |
| SCHEMBL7984824 | 0.80 | HTT (0.46) | ALDH1A1MAPTKMT2ASMN1; SMN2FLT1 | |
| SCHEMBL6316440 | 0.79 | NPSR1 (0.55) | ALDH1A1MAPTNPSR1HPGDMEN1 | |
| SCHEMBL7986969 | 0.78 | CES2 (0.56) | PARP1ALDH1A1MAPTNPSR1MEN1 | |
| SCHEMBL7984963 | 0.77 | KAT6A (0.51) | ALDH1A1MAPTNPSR1HPGDMEN1 | |
| SCHEMBL7984823 | 0.76 | KAT6A (0.48) | ALDH1A1MEN1KMT2ASMN1; SMN2HTT |
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-6331628-B1 | REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-18 | — | — | US | disclosed |