Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| 2-Allylphenol SCHEMBL10901820 | 0.90 | TSHR (0.60) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| SCHEMBL1980875 | 0.87 | GABRA1 (0.59) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| Butylated Hydroxytoluene SCHEMBL1889653 | 0.87 | CA2 (0.51) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| 2-Allylphenol SCHEMBL28195855 | 0.81 | GABRA1 (0.41) | GABRA1GABRB2ALDH1A1TSHRTDP1 | |
| 2-Allylphenol SCHEMBL565880 | 0.81 | GABRA1 (0.53) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| 2-Allylphenol SCHEMBL29272030 | 0.81 | GABRA1 (0.53) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| 2-Allylphenol SCHEMBL27508196 | 0.81 | GABRA1 (0.53) | CA2GABRA1GABRB2ALDH1A1TSHR | |
| 2-Allylphenol SCHEMBL29381085 | 0.81 | GABRA1 (0.57) | CA2GABRA1GABRB2TSHRAKR1B1 | |
| 2-Allylphenol SCHEMBL31591833 | 0.81 | GABRA1 (0.57) | CA2GABRA1GABRB2TSHRAKR1B1 | |
| 2-Allylphenol SCHEMBL160157 | 0.81 | GABRA1 (0.57) | CA2GABRA1GABRB2TSHRAKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-5155868-A | — | — | None | — | — | JP | disclosed |