Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7983792 | 0.89 | CES2 (0.46) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL7990889 | 0.85 | CES2 (0.55) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL7984817 | 0.82 | HPGD (0.50) | PARP1HDAC6GAAKAT6AALDH1A1 | |
| SCHEMBL7984972 | 0.82 | PARP1 (0.49) | PARP1LMNATSHRGAAALDH1A1 | |
| SCHEMBL7983810 | 0.81 | PARP1 (0.47) | PARP1GAAALDH1A1MEN1KMT2A | |
| SCHEMBL7987131 | 0.80 | HTR7 (0.44) | CES2CES1HDAC1GAAALDH1A1 | |
| SCHEMBL6316440 | 0.79 | NPSR1 (0.55) | CES2CES1LMNATSHRALDH1A1 | |
| SCHEMBL7986969 | 0.78 | CES2 (0.56) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL7984963 | 0.77 | KAT6A (0.51) | LMNAKAT6AALDH1A1MEN1KMT2A | |
| SCHEMBL7984823 | 0.76 | KAT6A (0.48) | LMNAGAAKAT6AALDH1A1MEN1 |
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 |