Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.39 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7983786 | 0.89 | CES2 (0.50) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL7989108 | 0.84 | L3MBTL1 (0.48) | PARP1LMNATSHRALDH1A1GAA | |
| SCHEMBL7991787 | 0.82 | ALDH1A1 (0.45) | PARP1ALDH1A1GAAMEN1KMT2A | |
| SCHEMBL7987813 | 0.81 | HTR7 (0.45) | CES2CES1HDAC1ALDH1A1GAA | |
| SCHEMBL7990889 | 0.81 | CES2 (0.55) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL7973495 | 0.81 | NPSR1 (0.46) | CES2CES1LMNATSHRALDH1A1 | |
| SCHEMBL7973364 | 0.80 | ALDH1A1 (0.53) | CES2CES1PARP1LMNATSHR | |
| SCHEMBL7987781 | 0.79 | KAT6A (0.48) | LMNAALDH1A1KAT6AMEN1KMT2A | |
| SCHEMBL7983751 | 0.78 | KAT6A (0.45) | LMNAALDH1A1GAAKAT6AMEN1 | |
| SCHEMBL30437232 | 0.73 | HDAC1 (0.57) | CES2CES1HDAC1HDAC6LMNA |
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 |