Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.52 |
| ▸ | NQO2 | P16083 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | ACP3 | P15309 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5830948 | 0.95 | GPR84 (0.59) | CYP1A2CYP2C19CYP2C9GPR84CYP2D6 | |
| SCHEMBL3047898 | 0.90 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2C9CYP2D6TDP1 | |
| SCHEMBL132271 | 0.89 | MTNR1A (0.49) | CYP1A2CYP2C19CYP2C9GPR84CYP2D6 | |
| SCHEMBL22288186 | 0.89 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9GPR84CYP2D6 | |
| SCHEMBL6680287 | 0.89 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9GPR84CYP2D6 | |
| SCHEMBL131655 | 0.89 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9GPR84CYP2D6 | |
| SCHEMBL131057 | 0.89 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9GPR84CYP2D6 | |
| SCHEMBL131656 | 0.89 | SLC6A4 (0.51) | CYP1A2CYP2C19CYP2C9GPR84CYP2D6 | |
| SCHEMBL4948339 | 0.89 | GPR84 (0.59) | CYP1A2CYP2C19CYP2C9GPR84CYP2D6 | |
| SCHEMBL134471 | 0.89 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9GPR84CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117926288-A | Method for electrochemically synthesizing 1, 4-diphenyl butane derivative under mild condition | 湘潭大学 | 2024-04-26 | — | — | CN | disclosed |
| US-5039801-A | Refluxing in alcoholic solution | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 1991-08-13 | — | — | US | disclosed |
| EP-0368025-A1 | A method of polymerizing alpha-omega diynes | THE DOW CHEMICAL COMPANY (US) | 1990-05-16 | — | — | EP | disclosed |
| WO-1990004578-A1 | A METHOD OF POLYMERIZING ALPHA-OMEGA DIYNES | THE DOW CHEMICAL COMPANY (US) | 1990-05-03 | — | — | WO | disclosed |
| US-4877917-A | CYCLIZATION WITH | UNIVERSITY OF AKRON (US) | 1989-10-31 | — | — | US | disclosed |