Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 4/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | AGER | Q15109 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3039398 | 0.87 | MAPT (0.33) | IKBKBPTGS2ALDH1A1ADORA2AKDM4E | |
| SCHEMBL8595148 | 0.85 | ALDH1A1 (0.39) | PTGS2ALDH1A1KDM4ENPC1LDHA | |
| SCHEMBL9567818 | 0.79 | PTGS2 (0.34) | PTGS2ALDH1A1KDM4ENPC1LDHA | |
| Valine SCHEMBL9429680 | 0.75 | SLC7A5 (0.46) | PTGS2 | |
| SCHEMBL163532 | 0.74 | — | — | |
| SCHEMBL17570173 | 0.74 | — | — | |
| SCHEMBL1790158 | 0.72 | — | — | |
| SCHEMBL29366578 | 0.72 | — | — | |
| SCHEMBL3348565 | 0.72 | — | — | |
| SCHEMBL161729 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1051074-C | Isoxazole-4-carboxamides and hydroxyalkylidenecyanoacetamides pharmaceuticals containing these compounds and their use | HOECHST AG (DE) | 2000-04-05 | — | — | CN | disclosed |
| US-5378680-A | Dicarboximides and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1995-01-03 | — | — | US | disclosed |
| US-5276160-A | Amidation of primary or secondary amines | BASF AKTIENGESELLSCHAFT (DE) | 1994-01-04 | — | — | US | disclosed |
| US-5264580-A | Reaction of hydroximyl chlorides and beta-keto acids or esters, cyclization | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-23 | — | — | US | disclosed |
| US-5176739-A | Plant growth regulators | BASF AKTIENGESELLSCHAFT (DE) | 1993-01-05 | — | — | US | disclosed |
| CN-1056684-A | Different azoles-4-carboxylic acid amides and hydroxy alkylidene Malonamide nitrile contains the medicine of these compounds and their application | HOECHST AG (DE) | 1991-12-04 | — | — | CN | disclosed |