Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8450337 | 0.77 | TSHR (0.46) | TSHRALDH1A1GAAEPHX2PKM | |
| SCHEMBL294637 | 0.75 | TSHR (0.43) | TSHRALDH1A1EPHX2SMN1; SMN2MAPT | |
| SCHEMBL11226678 | 0.71 | TSHR (0.51) | TSHRALDH1A1GAAEPHX2PKM | |
| SCHEMBL56403 | 0.71 | TSHR (0.63) | TSHRALDH1A1GAAEPHX2PKM | |
| SCHEMBL732210 | 0.70 | TSHR (0.46) | TSHRALDH1A1GAAEPHX2PKM | |
| SCHEMBL11247696 | 0.70 | TSHR (0.40) | TSHRALDH1A1GAAEPHX2PKM | |
| Ammonia Solution, Strong SCHEMBL29207431 | 0.69 | TSHR (0.61) | TSHRALDH1A1GAAEPHX2PKM | |
| SCHEMBL28545578 | 0.69 | TSHR (0.61) | TSHRALDH1A1GAAEPHX2PKM | |
| SCHEMBL19629 | 0.69 | CASP1 (0.60) | TSHRALDH1A1GAACASP1TDP1 | |
| SCHEMBL8746820 | 0.69 | ALDH1A1 (0.52) | TSHRALDH1A1GAAPKMSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-7242654-A | — | — | None | — | — | JP | disclosed |
| JP-H07242654-A | DIALLYL ESTER OR DIMETHALLYL ESTER COMPOUND | MITSUBISHI CHEM CORP | 1995-09-19 | — | — | JP | disclosed |