Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27601298 | 0.92 | TSHR (0.59) | TSHRHSD17B10KDM4EALDH1A1HPGD | |
| SCHEMBL27618809 | 0.88 | TSHR (0.79) | TSHRHSD17B10ALDH1A1HPGDABCB1 | |
| Benzonitrile SCHEMBL27895198 | 0.86 | TSHR (0.67) | TSHRHSD17B10ALDH1A1HTTABCB1 | |
| Ethylamine SCHEMBL8419053 | 0.84 | TSHR (0.52) | TSHRHSD17B10ALDH1A1ALDH1A3GABRA1 | |
| SCHEMBL72569 | 0.83 | TSHR (0.68) | TSHRALDH1A1ALDH1A3GABRA1GABRG2 | |
| Valeric Acid SCHEMBL11762066 | 0.83 | MMP2 (0.55) | TSHRHSD17B10KDM4EHPGDL3MBTL1 | |
| Water SCHEMBL27280762 | 0.83 | TSHR (0.68) | TSHRALDH1A1ALDH1A3GABRA1GABRG2 | |
| Water SCHEMBL6336152 | 0.83 | TSHR (0.68) | TSHRALDH1A1ALDH1A3GABRA1GABRG2 | |
| Benzene SCHEMBL28680466 | 0.83 | TSHR (0.68) | TSHRALDH1A1ALDH1A3GABRA1GABRG2 | |
| SCHEMBL1978798 | 0.83 | TSHR (0.68) | TSHRALDH1A1ALDH1A3GABRA1GABRG2 |
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-108485682-A | A method of passing through special rodlike molecule or its polymers modulate liquid crystal molecular orientation | 湘潭大学 | 2018-09-04 | — | — | CN | claimed |