Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21577865 | 0.85 | TSHR (0.50) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL14191164 | 0.84 | TSHR (0.46) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL19497307 | 0.83 | NAAA (0.45) | MAPT | |
| SCHEMBL21577880 | 0.83 | ALDH1A1 (0.55) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL12082402 | 0.83 | TSHR (0.55) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL21577949 | 0.83 | TSHR (0.47) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL12205339 | 0.82 | TSHR (0.48) | TSHRALDH1A1THRBMAPT | |
| SCHEMBL23350038 | 0.81 | TSHR (0.60) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL19187513 | 0.80 | TSHR (0.55) | TSHRHPGDALDH1A1CYP3A4TP53 | |
| SCHEMBL18432939 | 0.80 | TSHR (0.55) | TSHRHPGDALDH1A1CYP3A4TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3428246-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-04-15 | — | — | EP | disclosed |