Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.33 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | IAPP | P10997 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15894468 | 0.82 | ALDH1A1 (0.56) | TSHRALDH1A1CES1CES2FFAR3 | |
| SCHEMBL16433403 | 0.80 | ALDH1A1 (0.37) | TSHRALDH1A1CES1CES2FFAR3 | |
| SCHEMBL106813 | 0.79 | — | — | |
| SCHEMBL12088001 | 0.75 | THRB (0.46) | TSHRALDH1A1THRBDGKAGLO1 | |
| SCHEMBL139434 | 0.75 | ALDH1A1 (0.65) | TSHRALDH1A1CES1LMNA | |
| SCHEMBL2175759 | 0.74 | CYP1A2 (0.47) | TSHRALDH1A1THRBDGKAGLO1 | |
| SCHEMBL28240776 | 0.74 | MGAM (0.41) | ALDH1A1CES1CES2HDAC3HDAC1 | |
| SCHEMBL28140750 | 0.73 | THRB (0.44) | TSHRALDH1A1THRBDGKAGLO1 | |
| SCHEMBL10426403 | 0.73 | THRB (0.57) | TSHRALDH1A1THRBMAPTBLM | |
| SCHEMBL1083216 | 0.73 | TSHR (0.67) | TSHRALDH1A1CES2LMNA |
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-106831416-B | A kind of preparation method of high-content TrinexAN_SNacethyl raw medicine | 淮安国瑞化工有限公司 | 2019-11-08 | — | — | CN | disclosed |