Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 4/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | AOC1 | P19801 | 5/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 5/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.34 |
| ▸ | KDM6B | O15054 | 2/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16610646 | 0.83 | CYP2E1 (0.39) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL4734614 | 0.82 | CYP2E1 (0.43) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL258369 | 0.79 | KDM4C (0.51) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL6627688 | 0.77 | CYP2A6 (0.45) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| Hydrochloric Acid SCHEMBL5739434 | 0.77 | KDM4C (0.50) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL6627674 | 0.75 | PTGDR2 (0.42) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL10954433 | 0.74 | CYP2E1 (0.51) | CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6 | |
| SCHEMBL16852630 | 0.74 | TDP1 (0.41) | KDM4CKDM6BTDP1SIRT3L3MBTL1 | |
| SCHEMBL29590143 | 0.73 | ALDH1A1 (0.40) | KDR | |
| SCHEMBL712790 | 0.73 | ALDH1A1 (0.40) | KDR |
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 |
|---|---|---|---|---|---|---|---|
| JP-5017445-A | — | — | None | — | — | JP | disclosed |
| JP-H0517445-A | PYRIDINE DERIVATIVE AND PERFUME COMPOSITION CONTAINING THE SAME DERIVATIVE | SHIONO KORYO KK | 1993-01-26 | — | — | JP | disclosed |