Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.59 |
| ▸ | AHR | P35869 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.57 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.56 |
| ▸ | TUBB | P07437 | 2/20 | 0.56 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.56 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.56 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.56 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.56 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.56 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.56 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.56 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.56 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.56 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.56 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.56 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.56 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28612137 | 1.00 | ESR1 (0.59) | ESR1AHRPTGS2PTGS1TUBB4A | |
| SCHEMBL27817999 | 0.89 | PTGS2 (0.69) | PTGS2PTGS1TUBB4ATUBBTUBA3C | |
| SCHEMBL28461742 | 0.89 | PTGS2 (0.69) | PTGS2PTGS1TUBB4ATUBBTUBA3C | |
| SCHEMBL27703529 | 0.82 | CYP1A1 (0.61) | PTGS2PTGS1TUBB4ATUBBTUBA3C | |
| SCHEMBL28598690 | 0.80 | PTGS2 (0.64) | PTGS2PTGS1MAOAMAOB | |
| SCHEMBL30102859 | 0.77 | PTGS2 (0.68) | PTGS2PTGS1TUBB4ATUBBTUBA3C | |
| SCHEMBL6467668 | 0.76 | ESR1 (1.00) | ESR1AHRPTGS2PTGS1TUBB4A | |
| SCHEMBL6463239 | 0.76 | ESR1 (1.00) | ESR1AHRPTGS2PTGS1TUBB4A | |
| SCHEMBL6540782 | 0.76 | LMNA (0.59) | ESR1AHR | |
| SCHEMBL6798840 | 0.76 | ESR1 (1.00) | ESR1AHRPTGS2PTGS1TUBB4A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110105316-B | Resveratrol-phthalide hybrid compound and preparation method and application thereof | 合肥工业大学 | 2022-10-21 | — | — | CN | disclosed |
| CN-108558813-B | Resveratrol derivative containing flavonoid as well as preparation method and application thereof | 合肥工业大学 | 2021-07-23 | — | — | CN | disclosed |
| CN-110105316-A | A kind of resveratrol-phthalide heterozygosis class compound and its preparation method and application | 合肥工业大学 | 2019-08-09 | — | — | CN | disclosed |