Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25996468 | 0.92 | TSHR (0.41) | TSHRMEN1KMT2ATDP1CYP3A4 | |
| SCHEMBL25996469 | 0.89 | MEN1 (0.39) | TSHRMEN1KMT2ATDP1CYP3A4 | |
| SCHEMBL14996462 | 0.89 | — | — | |
| SCHEMBL14493348 | 0.88 | HTT (0.50) | TSHRMEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL5596561 | 0.88 | TSHR (0.35) | TSHRMEN1KMT2ATDP1 | |
| SCHEMBL17225877 | 0.88 | TSHR (0.35) | TSHRMEN1KMT2ATDP1CYP3A4 | |
| SCHEMBL5596635 | 0.85 | — | — | |
| SCHEMBL18511820 | 0.83 | THRB (0.45) | TSHRMEN1KMT2ATDP1CYP3A4 | |
| SCHEMBL18511781 | 0.83 | THRB (0.45) | TSHRMEN1KMT2ATDP1CYP3A4 | |
| SCHEMBL22268947 | 0.83 | THRB (0.45) | TSHRMEN1KMT2ATDP1CYP3A4 |
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-107827792-B | A kind of method and method of purification synthesizing 1,5,13- trihydroxy -7- oxa- -3,11- dithia tridecane | 锦西化工研究院有限公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-107827792-A | Synthesize the method and method of purification of the dithia tridecane of 1,5,13 trihydroxy of high-purity, 7 oxa- 3,11 | 锦西化工研究院有限公司 | 2018-03-23 | — | — | CN | disclosed |