Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK10 | P53779 | 5/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7180210 | 0.97 | — | — | |
| SCHEMBL7180208 | 0.97 | — | — | |
| SCHEMBL12588737 | 0.79 | — | — | |
| SCHEMBL8537626 | 0.77 | — | — | |
| SCHEMBL8402032 | 0.77 | — | — | |
| SCHEMBL12700930 | 0.76 | — | — | |
| SCHEMBL4507425 | 0.76 | — | — | |
| SCHEMBL4507427 | 0.76 | — | — | |
| SCHEMBL4507423 | 0.76 | — | — | |
| SCHEMBL9393594 | 0.75 | TDP1 (0.46) | MAPK10TP53GABRA1GABRG2GABRB3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101143834-B | Polymorphism for N-(4-trifluoromethylphenyl)-2-cyano-3-hydroxycrotonamide sodium salt and preparation method thereof | XINKAI MEDICAL CHEMICAL INTERMEDIATE SHANGHAI CO LTD | 2010-09-08 | — | — | CN | disclosed |
| CN-101143834-A | Polymorphism for N-(4-trifluoromethylphenyl)-2-cyano-3-hydroxycrotonamide sodium salt and preparation method thereof | XINKAI MEDICAL CHEMICAL INTERM (CN) | 2008-03-19 | — | — | CN | disclosed |