Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.50 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.50 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.50 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.50 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.50 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2J2 | P51589 | 2/20 | 0.50 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.50 |
| ▸ | CYP4F8 | P98187 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17144794 | 1.00 | CYP1A1 (0.50) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| Hydrochloric Acid SCHEMBL17144266 | 0.99 | CYP1A1 (0.49) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17144809 | 0.88 | CYP1A1 (0.54) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17144642 | 0.86 | CYP1A1 (0.64) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17144798 | 0.86 | CYP1A1 (0.61) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17144737 | 0.85 | CYP1A1 (0.61) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL17145021 | 0.84 | CYP1A1 (0.62) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL30102582 | 0.84 | CYP1A1 (0.50) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL28960777 | 0.84 | CYP1A1 (0.50) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 | |
| SCHEMBL29015009 | 0.82 | MAPT (0.51) | CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115572254-A | 2, 6-diaryl pyridine HDAC/Tubulin bifunctional inhibitor, preparation method and application | 复旦大学 | 2023-01-06 | — | — | CN | disclosed |