Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.72 |
| ▸ | NPC1 | O15118 | 1/20 | 0.72 |
| ▸ | RAB9A | P51151 | 1/20 | 0.72 |
| ▸ | GSK3B | P49841 | 2/20 | 0.62 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.62 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.62 |
| ▸ | TEK | Q02763 | 5/20 | 0.60 |
| ▸ | KDR | P35968 | 5/20 | 0.60 |
| ▸ | EPHB4 | P54760 | 3/20 | 0.60 |
| ▸ | CD74 | P04233 | 1/20 | 0.57 |
| ▸ | MIF | P14174 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.55 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL29275463 | 1.00 | CYP19A1 (0.72) | CYP19A1NPC1RAB9AGSK3BROCK2 | |
| SCHEMBL29352717 | 0.91 | CYP19A1 (0.72) | CYP19A1NPC1RAB9AGSK3BROCK2 | |
| SCHEMBL16050564 | 0.91 | CYP19A1 (0.72) | CYP19A1NPC1RAB9AGSK3BROCK2 | |
| SCHEMBL25055331 | 0.89 | CD74 (0.73) | CYP19A1NPC1RAB9AGSK3BROCK2 | |
| SCHEMBL28331496 | 0.88 | NPC1 (0.76) | CYP19A1NPC1RAB9AGSK3BTEK | |
| SCHEMBL935182 | 0.85 | CYP19A1 (1.00) | CYP19A1NPC1RAB9AGSK3BROCK2 | |
| SCHEMBL12419414 | 0.84 | ROCK2 (0.58) | CYP19A1NPC1RAB9AGSK3BROCK2 | |
| SCHEMBL12535881 | 0.84 | NPC1 (0.88) | CYP19A1NPC1RAB9AGSK3BTEK | |
| SCHEMBL28068165 | 0.84 | NPC1 (1.00) | CYP19A1NPC1RAB9ATEKKDR | |
| SCHEMBL30991876 | 0.83 | CD74 (0.81) | CYP19A1NPC1RAB9AKDRCD74 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118290354-A | Preparation method of 1, 4-disubstituted triazole | 大连理工大学 | 2024-07-05 | — | — | CN | disclosed |
| CN-110396068-B | 4-o-alkoxy aryl-1, 2, 3-triazole derivative, and synthesis method and application thereof | 昆明理工大学 | 2023-01-20 | — | — | CN | disclosed |