Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.43 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.43 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.43 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.43 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.43 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30036250 | 0.75 | CA1 (0.33) | CYP1A2CYP3A4CYP2D6CYP2A6CYP2C9 | |
| SCHEMBL29375816 | 0.75 | CYP2D6 (0.42) | CYP2D6HDAC4HDAC8GAAMAPT | |
| SCHEMBL29489425 | 0.70 | CYP3A4 (0.73) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL196765 | 0.70 | CYP3A4 (0.73) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL27613029 | 0.70 | HDAC4 (0.66) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL4188956 | 0.69 | CYP1A2 (0.51) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL5620245 | 0.68 | CYP3A4 (0.86) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL16663957 | 0.68 | KIF11 (0.55) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL487170 | 0.68 | CYP1A1 (0.53) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| Hydrogen Sulfide SCHEMBL28640169 | 0.68 | CYP3A4 (0.70) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 |
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-116783160-A | Libraries of compounds | 中外制药株式会社 | 2023-09-19 | — | — | CN | disclosed |