Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30956094 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL30956077 | 0.82 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL30956097 | 0.78 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL20209119 | 0.73 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL20209392 | 0.72 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL10433003 | 0.69 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL25030257 | 0.68 | HTR1A (0.55) | CYP1A2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL30956087 | 0.68 | MAOB (0.46) | CYP1A2CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL6041859 | 0.68 | MAOB (0.53) | CA2MAOB | |
| SCHEMBL1252407 | 0.68 | CA2 (0.59) | CA2MAOB |
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-118005692-A | Preparation of benzofuran derivative by initiating free radical reaction by superelectron donor with heteroatom as center and application | 贵州大学 | 2024-05-10 | — | — | CN | disclosed |