Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Nonane SCHEMBL28044830 | 1.00 | TSHR (0.47) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL28145338 | 1.00 | TSHR (0.47) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Nonacosane SCHEMBL28201695 | 1.00 | TSHR (0.47) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Pentadecane SCHEMBL28134975 | 1.00 | TSHR (0.47) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Tridecane SCHEMBL28134974 | 1.00 | TSHR (0.47) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Decane SCHEMBL27285858 | 1.00 | TSHR (0.47) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL28246815 | 1.00 | TSHR (0.47) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL28132819 | 1.00 | TSHR (0.47) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL27706945 | 1.00 | TSHR (0.47) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Undecane SCHEMBL27485945 | 1.00 | TSHR (0.47) | TSHRTHRBDNM1ALDH1A1LMNA |
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-108430968-A | Industrial process for the preparation of (5S,10S) -10-benzyl-16-methyl-11, 14, 18-trioxo-15, 17, 19-trioxa-2, 7, 8-trithia-12-azaheneicosane-5-ammonium (E) -3-carboxy acrylate | 领先药物公司 | 2018-08-21 | — | — | CN | disclosed |
| CN-106470708-A | Antibody-drug-conjugates and their use for the treatment of cancer | 皮埃尔法布雷医药公司 | 2017-03-01 | — | — | CN | disclosed |