Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29124279 | 0.93 | ALDH1A1 (0.54) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL30716583 | 0.92 | TSHR (0.66) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL28360489 | 0.92 | TSHR (0.66) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL8467742 | 0.84 | LMNA (0.55) | TSHRALDH1A1TDP1MAPK1TP53 | |
| SCHEMBL28001073 | 0.83 | KMT2A (0.44) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL5575272 | 0.83 | ALDH1A1 (0.57) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL6231293 | 0.81 | ALDH1A1 (0.58) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL28454845 | 0.80 | ALDH1A1 (0.66) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL29124275 | 0.78 | ALDH1A1 (0.67) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL30716581 | 0.78 | ALDH1A1 (0.67) | TSHRALDH1A1TDP1L3MBTL1CYP3A4 |
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-114755316-B | Method for screening dangerous substances in food contact material and application | 广州质量监督检测研究院 | 2024-02-27 | — | — | CN | disclosed |