Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.67 |
| ▸ | THRB | P10828 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Octane SCHEMBL4077297 | 1.00 | TSHR (0.67) | TSHRTHRBALDH1A1DNM1LMNA | |
| Hexadecane SCHEMBL2833679 | 1.00 | TSHR (0.67) | TSHRTHRBALDH1A1DNM1LMNA | |
| Heptane SCHEMBL349511 | 1.00 | TSHR (0.67) | TSHRTHRBALDH1A1DNM1LMNA | |
| Heptane SCHEMBL11026529 | 0.96 | TSHR (0.61) | TSHRTHRBALDH1A1DNM1LMNA | |
| Hexane SCHEMBL4333874 | 0.96 | TSHR (0.58) | TSHRTHRBALDH1A1DNM1LMNA | |
| Hexane SCHEMBL9244722 | 0.96 | TSHR (0.58) | TSHRTHRBALDH1A1DNM1LMNA | |
| Hexane SCHEMBL3782949 | 0.96 | TSHR (0.58) | TSHRTHRBALDH1A1DNM1LMNA | |
| Hexane SCHEMBL4330650 | 0.96 | TSHR (0.58) | TSHRTHRBALDH1A1DNM1LMNA | |
| Hexane SCHEMBL55152 | 0.96 | TSHR (0.58) | TSHRTHRBALDH1A1DNM1LMNA | |
| Hexane SCHEMBL4325387 | 0.96 | TSHR (0.58) | TSHRTHRBALDH1A1DNM1LMNA |
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-109799297-A | A kind of construction method and its regulation method of cigarette smoke pH regulation-control model | 广西中烟工业有限责任公司 | 2019-05-24 | — | — | CN | disclosed |