Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | FLT4 | P35916 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.44 |
| ▸ | TEK | Q02763 | 1/20 | 0.44 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CDC25A | P30304 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ICMT | O60725 | 1/20 | 0.35 |
| ▸ | UPP1 | Q16831 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4006680 | 0.81 | EGFR (0.44) | NPC1EGFRIGF1RSRCFLT4 | |
| SCHEMBL18832024 | 0.78 | ALDH1A1 (0.52) | NPC1EGFRIGF1RSRCFLT4 | |
| SCHEMBL17782347 | 0.76 | NR4A2 (0.62) | NPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL23773685 | 0.76 | MEN1 (0.46) | NPC1EGFRIGF1RSRCFLT4 | |
| SCHEMBL18305477 | 0.75 | KMT2A (0.53) | NPC1EGFRIGF1RSRCFLT4 | |
| SCHEMBL23773891 | 0.75 | EGFR (0.45) | NPC1EGFRIGF1RSRCFLT4 | |
| SCHEMBL23538108 | 0.75 | EGFR (0.45) | NPC1EGFRIGF1RSRCFLT4 | |
| SCHEMBL28312449 | 0.75 | EGFR (0.45) | NPC1EGFRIGF1RSRCFLT4 | |
| SCHEMBL16504229 | 0.74 | NR4A2 (0.47) | NPC1EGFRIGF1RSRCFLT4 | |
| SCHEMBL23538115 | 0.74 | POLB (0.52) | NPC1EGFRIGF1RSRCFLT4 |
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-101023062-A | Production of alpha, beta-unsaturated esters and acids by stereoselective dehydration | JANSSEN PHARMACEUTICA NV (BE) | 2007-08-22 | — | — | CN | disclosed |