Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | OGG1 | O15527 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL7973224 | 0.88 | HTT (0.42) | HTTCES2CES1GSK3BOGG1 | |
| SCHEMBL7990725 | 0.83 | ALDH1A1 (0.45) | HTTCES2CES1GSK3BHDAC1 | |
| SCHEMBL7988139 | 0.82 | CES2 (0.48) | HTTCES2CES1GSK3BOGG1 | |
| SCHEMBL7987064 | 0.81 | ALDH1A1 (0.52) | HTTCA2ALDH1A1KMT2AMAPT | |
| SCHEMBL7984824 | 0.81 | HTT (0.46) | HTTCES2CES1GSK3BCA1 | |
| SCHEMBL6316440 | 0.81 | NPSR1 (0.55) | CES2CES1ALDH1A1KMT2AKDM4E | |
| SCHEMBL7984972 | 0.81 | PARP1 (0.49) | OGG1ALDH1A1POLBKMT2AKDM4E | |
| SCHEMBL7983730 | 0.79 | CES2 (0.50) | CES2CES1GSK3BHDAC3HDAC1 | |
| SCHEMBL7984979 | 0.79 | HDAC1 (0.46) | HTTHDAC3HDAC1HDAC2CA1 | |
| SCHEMBL7973511 | 0.79 | USP5 (0.45) | HTTCA1CA2ALDH1A1POLB |
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 |