Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.42 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | DHODH | Q02127 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1406284 | 0.85 | CYP2C9 (0.51) | NPSR1GLO1CYP2C9ALDH1A1CYP2D6 | |
| SCHEMBL1406206 | 0.85 | — | — | |
| SCHEMBL1406245 | 0.83 | NPSR1 (0.42) | NPSR1GLO1CYP2C9ALDH1A1CYP2D6 | |
| SCHEMBL18936311 | 0.83 | NPSR1 (0.42) | NPSR1GLO1CYP2C9ALDH1A1CYP2D6 | |
| SCHEMBL18936289 | 0.81 | NPSR1 (0.40) | NPSR1GLO1CYP2C9ALDH1A1CYP2D6 | |
| SCHEMBL18936287 | 0.81 | NPSR1 (0.40) | NPSR1GLO1CYP2C9ALDH1A1CYP2D6 | |
| SCHEMBL3512466 | 0.79 | GLO1 (0.62) | NPSR1GLO1CYP2C9ALDH1A1CYP2D6 | |
| SCHEMBL18936320 | 0.75 | NPSR1 (0.43) | NPSR1GLO1CYP2C9ALDH1A1CYP2D6 | |
| SCHEMBL18936318 | 0.75 | NPSR1 (0.43) | NPSR1GLO1CYP2C9ALDH1A1CYP2D6 | |
| SCHEMBL11201754 | 0.73 | ALDH1A1 (0.45) | NPSR1GLO1CYP2C9ALDH1A1CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458670-B1 | METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES | SALTIGO GMBH (DE) | 2011-03-09 | — | — | EP | disclosed |
| EP-1458670-A1 | METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES | Bayer Chemicals AG (DE) | 2004-09-22 | — | — | EP | disclosed |
| US-6706911-B1 | REACTING N-SUBSTITUTED 3-AMINOACRYLIC ESTERS WITH HALOALKYLCARBOXYLIC ANHYDRIDES IN PRESENCE OF BASE; PYRAZOLE-4-CARBOXYLIC ACID CHEMICAL INTERMEDIATES; HALOACYLATION | BAYER AKTIENGESELLSCHAFT (DE) | 2004-03-16 | — | — | US | disclosed |
| WO-2003051820-A1 | METHOD FOR PRODUCING 2-HALOGENACYL-3-AMINO-ACRYLIC ACID DERIVATIVES | BAYER CHEMICALS AG (DE) | 2003-06-26 | — | — | WO | disclosed |