Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL28211085 | 1.00 | TSHR (0.52) | TSHRALDH1A1TDP1THRB | |
| SCHEMBL29232116 | 1.00 | TSHR (0.52) | TSHRALDH1A1TDP1THRB | |
| Hexane SCHEMBL27853321 | 0.88 | TSHR (0.43) | TSHRALDH1A1THRB | |
| Octane SCHEMBL11686367 | 0.85 | TSHR (0.48) | TSHRALDH1A1THRB | |
| SCHEMBL28263931 | 0.85 | TSHR (0.63) | TSHRALDH1A1TDP1THRB | |
| Propene SCHEMBL25422704 | 0.83 | — | — | |
| Butadiene SCHEMBL28906738 | 0.83 | TSHR (0.67) | TSHRALDH1A1TDP1THRB | |
| Pentane SCHEMBL22150456 | 0.83 | TSHR (0.41) | TSHRALDH1A1THRB | |
| Pentane SCHEMBL22150457 | 0.83 | TSHR (0.41) | TSHRALDH1A1THRB | |
| Butadiene SCHEMBL382147 | 0.80 | TSHR (0.72) | TSHRALDH1A1TDP1THRB |
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-108101889-A | Deuterated N- [5- (pyrimidine -2- amino) -2,4- di-substituted-phenyls]-trans -2,4- Pentadienamides | 天津大学 | 2018-06-01 | — | — | CN | disclosed |