Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.42 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.42 |
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 | 0.85 | CES2 (0.50) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL7983792 | 0.81 | CES2 (0.46) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL7983521 | 0.80 | PARP1 (0.53) | PARP1HDAC6KAT6ANPC1RAB9A | |
| SCHEMBL7987939 | 0.79 | PARP1 (0.52) | PARP1GAAALDH1A1NPC1RAB9A | |
| SCHEMBL7987660 | 0.79 | PARP1 (0.52) | PARP1GAAALDH1A1NPC1RAB9A | |
| SCHEMBL7987811 | 0.77 | CES2 (0.48) | CES2CES1NPC1RAB9ACA1 | |
| SCHEMBL6316323 | 0.77 | CES2 (0.44) | CES2CES1PARP1GAAALDH1A1 | |
| SCHEMBL27675361 | 0.75 | PARP1 (0.79) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL7990892 | 0.74 | HDAC1 (0.66) | CES2CES1PARP1HDAC1HDAC6 | |
| SCHEMBL29582698 | 0.74 | HDAC1 (0.66) | CES2CES1PARP1HDAC1HDAC6 |
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 |