Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 3/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | AOC1 | P19801 | 4/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.41 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 2/20 | 0.37 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25774612 | 0.88 | TYR (0.52) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL13625817 | 0.83 | — | — | |
| SCHEMBL5109069 | 0.82 | CYP2E1 (0.46) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL10954433 | 0.80 | CYP2E1 (0.51) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL28759090 | 0.79 | TAAR1 (0.52) | CYP2A6AOC1AOC3TDP1LOXL2 | |
| SCHEMBL6136671 | 0.78 | PDE4B (0.40) | AOC1AOC3TYRPDE4APDE4B | |
| SCHEMBL5110078 | 0.78 | CYP2E1 (0.46) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL7468680 | 0.77 | CYP2E1 (0.49) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL8271491 | 0.77 | CYP2E1 (0.49) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL873728 | 0.77 | CYP2E1 (0.49) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2C9 |
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-2009140448-A1 | TETRAHYDROCYCLOPENTA[B]INDOLE ANDROGEN RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2009-11-19 | — | — | WO | disclosed |