Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7129769 | 0.83 | TSHR (0.42) | TSHRALDH1A1CYP19A1 | |
| SCHEMBL7133622 | 0.81 | TSHR (0.47) | TSHRALDH1A1THRB | |
| SCHEMBL737596 | 0.79 | ALDH1A1 (0.35) | TSHRALDH1A1CYP19A1DPP4THRB | |
| SCHEMBL15256856 | 0.78 | TSHR (0.41) | TSHRALDH1A1THRBNPSR1 | |
| SCHEMBL16329473 | 0.78 | CYP17A1 (0.32) | TSHRALDH1A1CYP17A1CYP19A1 | |
| SCHEMBL14559549 | 0.77 | CYP19A1 (0.43) | ALDH1A1CYP17A1CYP19A1NPSR1 | |
| SCHEMBL7129167 | 0.77 | THRB (0.37) | TSHRALDH1A1CYP17A1CYP19A1DPP4 | |
| SCHEMBL28713506 | 0.76 | TSHR (0.31) | TSHRCYP17A1CYP19A1 | |
| SCHEMBL3680712 | 0.76 | TSHR (0.49) | TSHRALDH1A1THRBNPSR1 | |
| SCHEMBL7126133 | 0.76 | CYP19A1 (0.32) | TSHRALDH1A1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6670499-B1 | Bis-Methacryloyloxy-adamantanedicarboxylate derivatives; raw materials for dental materials and lenses; transparency, luster, hardness, water resistance | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2003-12-30 | — | — | US | disclosed |