Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.81 |
| ▸ | TP53 | P04637 | 1/20 | 0.71 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.56 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.54 |
| ▸ | PPARG | P37231 | 7/20 | 0.54 |
| ▸ | PPARD | Q03181 | 7/20 | 0.54 |
| ▸ | PPARA | Q07869 | 7/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.54 |
| ▸ | TLR2 | O60603 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | FABP4 | P15090 | 2/20 | 0.54 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.54 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | PDE4A | P27815 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27946899 | 0.98 | TSHR (0.86) | TSHRALDH1A1TP53AKR1B1GPR84 | |
| Benzene SCHEMBL28098490 | 0.98 | TSHR (0.86) | TSHRALDH1A1TP53AKR1B1GPR84 | |
| Benzene SCHEMBL27738903 | 0.92 | ALDH1A1 (0.84) | TSHRALDH1A1TP53AKR1B1GPR84 | |
| SCHEMBL2887 | 0.92 | — | — | |
| SCHEMBL19468500 | 0.90 | TSHR (1.00) | TSHRALDH1A1TP53GPR84PPARG | |
| SCHEMBL19468445 | 0.90 | TSHR (1.00) | TSHRALDH1A1TP53GPR84PPARG | |
| SCHEMBL177408 | 0.90 | TSHR (1.00) | TSHRALDH1A1TP53GPR84PPARG | |
| SCHEMBL517004 | 0.90 | TSHR (1.00) | TSHRALDH1A1TP53GPR84PPARG | |
| SCHEMBL825395 | 0.90 | — | — | |
| SCHEMBL3674715 | 0.90 | TSHR (1.00) | TSHRALDH1A1TP53GPR84PPARG |
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 |
|---|---|---|---|---|---|---|---|
| CN-103450243-B | (methyl) acrylate monomer of oligomerization cubical contraction without structure of bisphenol A and its preparation method and application | 华南理工大学 | 2016-10-05 | — | — | CN | claimed |
| CN-103450243-A | Low-polymeric volume shrinkage (methyl) acrylate monomer without bisphenol A structure, and preparation method and application thereof | UNIV SOUTH CHINA TECH | 2013-12-18 | — | — | CN | claimed |
| CN-107074788-B | Substituted heterocyclic derivatives, preparation method and application thereof | 厦门大学 | 2019-09-20 | — | — | CN | disclosed |
| CN-103450243-A | Low-polymeric volume shrinkage (methyl) acrylate monomer without bisphenol A structure, and preparation method and application thereof | UNIV SOUTH CHINA TECH | 2013-12-18 | — | — | CN | disclosed |