Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.52 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL499513 | 0.77 | ALDH1A1 (0.50) | MAPTLMNAKMT2AMEN1GAA | |
| Dimethylstilbestrol SCHEMBL13339102 | 0.75 | ESR1 (0.74) | ESR1ESR2HSD17B1MAPTLMNA | |
| Dimethylstilbestrol SCHEMBL125635 | 0.75 | ESR1 (0.74) | ESR1ESR2HSD17B1MAPTLMNA | |
| SCHEMBL3656765 | 0.75 | ESR1 (0.57) | ESR1ESR2HSD17B1MAPTLMNA | |
| SCHEMBL11673671 | 0.75 | MAPT (0.53) | ESR1ESR2MAPTLMNAHSD17B10 | |
| SCHEMBL1071921 | 0.75 | ESR1 (0.57) | ESR1ESR2HSD17B1MAPTLMNA | |
| Dimethylstilbestrol SCHEMBL125634 | 0.75 | ESR1 (0.74) | ESR1ESR2HSD17B1MAPTLMNA | |
| SCHEMBL20344811 | 0.74 | MAPT (0.32) | MAPTLMNAHSD17B10KMT2AMEN1 | |
| SCHEMBL3182088 | 0.74 | ALDH1A1 (0.48) | MAPTLMNAKMT2AMEN1CYP3A4 | |
| SCHEMBL5068709 | 0.74 | TPMT (0.46) | CA1CA2 |
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-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |