Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.32 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.32 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL27405676 | 0.83 | SMN1; SMN2 (0.38) | TP53MMP1MMP9MMP12ALDH1A1 | |
| SCHEMBL9807542 | 0.78 | MMP1 (0.39) | MMP1MMP9MMP12ALDH1A1RAB9A | |
| SCHEMBL28259277 | 0.78 | SRC (0.45) | MMP1MMP9MMP12ALDH1A1CES2 | |
| SCHEMBL10934944 | 0.78 | MMP1 (0.35) | TP53MMP1MMP9MMP12ALDH1A1 | |
| SCHEMBL7361864 | 0.78 | MMP1 (0.33) | TP53MMP1MMP9MMP12ALDH1A1 | |
| Water SCHEMBL27531645 | 0.77 | SRC (0.43) | MMP1MMP9MMP12ALDH1A1CES2 | |
| Water SCHEMBL28645830 | 0.77 | SRC (0.43) | MMP1MMP9MMP12ALDH1A1CES2 | |
| Water SCHEMBL5806298 | 0.75 | SRC (0.42) | MMP1MMP9MMP12ALDH1A1CES2 | |
| Ammonia Solution, Strong SCHEMBL5804518 | 0.75 | SRC (0.42) | MMP1MMP9MMP12ALDH1A1CES2 | |
| Water SCHEMBL5807227 | 0.75 | MMP1 (0.33) | MMP1MMP9MMP12ALDH1A1RAB9A |
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-104098603-A | O, O-dialkyl-alpha-(substituted phenoxybutyryloxy)alkyl phosphonate with herbicidal activity and preparation method thereof | UNIV HUAZHONG NORMAL | 2014-10-15 | — | — | CN | disclosed |