Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28448128 | 1.00 | TDP1 (0.53) | TDP1TP53PTGS1PTGS2ALOX5 | |
| SCHEMBL28443843 | 0.81 | CHAT (0.46) | RELAFBP1MAOAMAOBNFE2L2 | |
| SCHEMBL28451825 | 0.81 | NFE2L2 (0.55) | PTGS1PTGS2RELAFBP1NPC1 | |
| SCHEMBL28440727 | 0.80 | CYP2C19 (0.47) | TDP1ALOX5RELAMAOAMAOB | |
| SCHEMBL29093795 | 0.80 | CYP2C19 (0.47) | TDP1ALOX5RELAMAOAMAOB | |
| SCHEMBL28452418 | 0.78 | NFE2L2 (0.42) | PTGS1PTGS2ALOX5RELAFBP1 | |
| SCHEMBL12228136 | 0.77 | TDP1 (0.53) | TDP1TP53PTGS1PTGS2ALOX5 | |
| SCHEMBL2659249 | 0.76 | TP53 (0.53) | TDP1TP53PTGS1PTGS2ALOX5 | |
| SCHEMBL23992499 | 0.76 | TP53 (0.63) | TDP1TP53PTGS1PTGS2ALOX5 | |
| SCHEMBL8542737 | 0.76 | TP53 (0.63) | TDP1TP53PTGS1PTGS2ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111440091-B | Synthesis method of (E) -2, 2-dimethyl-4-aryl-but-3-enenitrile compound | 新疆普禾粟新型环保材料有限公司 | 2023-01-06 | — | — | CN | disclosed |