Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.66 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.66 |
| ▸ | SCN2B | O60939 | 1/20 | 0.56 |
| ▸ | SCN1A | P35498 | 1/20 | 0.56 |
| ▸ | SCN1B | Q07699 | 1/20 | 0.56 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.56 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.51 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29582698 | 1.00 | HDAC1 (0.66) | HDAC1HDAC6SCN2BSCN1ASCN1B | |
| SCHEMBL7983790 | 0.83 | HDAC1 (0.62) | HDAC1HDAC6ALDH1A1GAAKAT6A | |
| SCHEMBL29659751 | 0.83 | HDAC1 (0.62) | HDAC1HDAC6ALDH1A1GAAKAT6A | |
| SCHEMBL2159159 | 0.81 | PKM (0.51) | HDAC1HDAC6SCN2BSCN1ASCN1B | |
| SCHEMBL280256 | 0.81 | HDAC8 (0.68) | HDAC6SCN2BSCN1ASCN1BSCN9A | |
| SCHEMBL13331743 | 0.81 | KDM4E (0.65) | HDAC6SCN9AALDH1A1GAAMEN1 | |
| SCHEMBL26163053 | 0.80 | HDAC1 (0.62) | HDAC1HDAC6ALDH1A1GAAKAT6A | |
| SCHEMBL30437232 | 0.80 | HDAC1 (0.57) | HDAC1HDAC6ALDH1A1GAAKAT6A | |
| SCHEMBL7983796 | 0.80 | HDAC1 (0.57) | HDAC1HDAC6ALDH1A1GAAKAT6A | |
| SCHEMBL30986828 | 0.80 | HDAC6 (1.00) | HDAC1HDAC6CES2CES1MEN1 |
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 |