Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.71 |
| ▸ | ESR1 | P03372 | 5/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.44 |
| ▸ | TUBB | P07437 | 1/20 | 0.44 |
| ▸ | YES1 | P07947 | 1/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.44 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.44 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6261080 | 1.00 | ESR2 (0.71) | ESR2ESR1CYP3A4NPC1ADORA3 | |
| SCHEMBL1687994 | 0.89 | ESR2 (0.57) | ESR2ESR1CYP3A4NPC1ADORA3 | |
| Flavane SCHEMBL26661841 | 0.88 | ESR1 (0.54) | ESR2ESR1CYP3A4NPC1ADORA3 | |
| SCHEMBL1688018 | 0.88 | ESR2 (0.56) | ESR2ESR1CYP3A4NPC1ADORA3 | |
| Flavane SCHEMBL27889134 | 0.86 | ESR1 (0.51) | ESR2ESR1ADORA3CYP19A1AR | |
| Flavane SCHEMBL123287 | 0.86 | ESR1 (0.51) | ESR2ESR1ADORA3CYP19A1AR | |
| Flavane SCHEMBL27595228 | 0.86 | ESR1 (0.51) | ESR2ESR1ADORA3CYP19A1AR | |
| Flavane SCHEMBL14394530 | 0.86 | ESR1 (0.51) | ESR2ESR1ADORA3CYP19A1AR | |
| Flavane SCHEMBL29478071 | 0.86 | ESR1 (0.51) | ESR2ESR1ADORA3CYP19A1AR | |
| Flavane SCHEMBL27534413 | 0.85 | ESR1 (0.51) | ESR2ESR1CYP3A4NPC1ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022202961-A1 | METHOD FOR PRODUCING DEMETHYLATED COMPOUND | 株式会社ダイセル | 2022-09-29 | — | — | WO | disclosed |