Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | LTB4R2 | Q9NPC1 | 4/20 | 0.43 |
| ▸ | HSD17B3 | P37058 | 7/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10326109 | 0.80 | TSHR (0.46) | TSHRESR1ESR2MEN1KMT2A | |
| SCHEMBL9307563 | 0.77 | TSHR (0.42) | TP53TSHRESR1ESR2MEN1 | |
| SCHEMBL3395276 | 0.76 | TSHR (0.43) | TSHRESR1ESR2ALOX5 | |
| SCHEMBL3687650 | 0.75 | TP53 (0.53) | TP53LTB4R2TSHR | |
| SCHEMBL28469980 | 0.75 | TP53 (0.53) | TP53LTB4R2TSHR | |
| SCHEMBL4207496 | 0.72 | TSHR (0.51) | TP53LTB4R2TSHRMEN1KMT2A | |
| SCHEMBL28637636 | 0.72 | TSHR (0.70) | TSHRESR1ESR2MEN1KMT2A | |
| SCHEMBL10878247 | 0.71 | HSD17B3 (0.48) | TP53LTB4R2HSD17B3TSHRESR1 | |
| SCHEMBL8170583 | 0.71 | TP53 (0.70) | TP53LTB4R2TSHRMEN1KMT2A | |
| SCHEMBL8543941 | 0.70 | HSD17B3 (0.47) | TP53LTB4R2HSD17B3ESR1ESR2 |
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-109134336-B | Diaryl ether compound, preparation method and application thereof | 北京大学深圳研究生院 | 2021-08-03 | — | — | CN | disclosed |