Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.36 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.36 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4965117 | 0.94 | CYP3A4 (0.55) | CYP3A4TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL28200633 | 0.87 | THRB (0.40) | CYP3A4TSHRALDH1A1THRB | |
| SCHEMBL29259528 | 0.87 | TSHR (0.59) | CYP3A4TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL28193503 | 0.87 | ALDH1A1 (0.37) | CYP3A4TSHRALDH1A1THRB | |
| SCHEMBL491086 | 0.83 | TSHR (0.43) | CYP3A4TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL27730736 | 0.82 | TSHR (0.33) | TSHR | |
| SCHEMBL25398870 | 0.80 | SMN1; SMN2 (0.39) | TSHRTHRB | |
| SCHEMBL19833987 | 0.80 | TSHR (0.35) | TSHRTHRB | |
| SCHEMBL28068530 | 0.79 | BTN3A1 (0.40) | TSHRALDH1A1THRB | |
| SCHEMBL9187927 | 0.79 | CYP3A4 (0.77) | CYP3A4TSHRLPAR3LPAR1LPAR2 |
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-109650762-A | A kind of phosphate type polycarboxylate water-reducer and preparation method | 科之杰新材料集团有限公司 | 2019-04-19 | — | — | CN | disclosed |