Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.42 |
| ▸ | SLC13A5 | Q86YT5 | 3/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6912517 | 1.00 | AR (0.47) | ARALDH1A1KEAP1NPC1RAB9A | |
| SCHEMBL6632235 | 0.86 | ALDH1A1 (0.50) | ARALDH1A1KEAP1NPC1RAB9A | |
| SCHEMBL6628038 | 0.86 | ALDH1A1 (0.50) | ARALDH1A1KEAP1NPC1RAB9A | |
| SCHEMBL5475208 | 0.86 | ALDH1A1 (0.50) | ARALDH1A1KEAP1NPC1RAB9A | |
| SCHEMBL22781383 | 0.83 | ALDH1A1 (0.52) | ARALDH1A1KEAP1NPC1RAB9A | |
| SCHEMBL27957913 | 0.81 | AR (0.47) | ARALDH1A1KEAP1NPC1RAB9A | |
| SCHEMBL6915546 | 0.81 | TRPA1 (0.47) | ALDH1A1MEN1KMT2AMAPK1SMN1; SMN2 | |
| SCHEMBL20176094 | 0.80 | NPC1 (0.46) | ARALDH1A1KEAP1NPC1RAB9A | |
| SCHEMBL28115030 | 0.77 | AR (0.44) | ARALDH1A1KEAP1NPC1RAB9A | |
| SCHEMBL6912872 | 0.77 | NPC1 (0.46) | ARALDH1A1NPC1RAB9APOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6818423-B2 | LOW-MOLECULAR-WEIGHT C4-C6-KETONES DERIVATIZED WITH REMOVABLE GROUP ARE REACTED WITH CYANIDE GROUP DONOR IN PRESENCE OF HYDROXYNITRILE LYASE OR BY RACEMIC REACTION, ACIDIC HYDROLYSIS, OPTIONALLY RESOLUTION, AND CLEAVAGE OF THE GROUP | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AU) | 2004-11-16 | — | — | US | disclosed |
| US-20030092142-A1 | Process for the preparation of chiral alpha-hydroxycarboxylic acids | DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) | 2003-05-15 | — | — | US | disclosed |