Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28217668 | 1.00 | TYR (0.32) | TYREGFRCYP1A2CYP3A4CYP2B6 | |
| SCHEMBL6284758 | 0.84 | TYR (0.41) | TYREGFRCYP1A2CYP3A4CYP2B6 | |
| SCHEMBL19704411 | 0.81 | CYP1A2 (0.46) | EGFRCYP1A2CYP3A4CYP2B6 | |
| SCHEMBL28258800 | 0.81 | CYP1A2 (0.46) | EGFRCYP1A2CYP3A4CYP2B6 | |
| SCHEMBL19704222 | 0.78 | CYP1A2 (0.39) | TYREGFRCYP1A2CYP3A4CYP2B6 | |
| SCHEMBL28258767 | 0.78 | CYP1A2 (0.39) | TYREGFRCYP1A2CYP3A4CYP2B6 | |
| SCHEMBL28217729 | 0.76 | FABP3 (0.35) | — | |
| SCHEMBL28217282 | 0.76 | FABP3 (0.35) | — | |
| SCHEMBL21543066 | 0.74 | SRC (0.37) | TYREGFRCYP1A2CYP3A4CYP2B6 | |
| SCHEMBL17972912 | 0.70 | GABRA1 (0.39) | CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108017559-B | Benzene ring derivative and application thereof in medicine | 四川海思科制药有限公司 | 2020-08-04 | — | — | CN | disclosed |
| CN-108017559-A | Phenyl ring derivative and its application in medicine | 四川海思科制药有限公司 | 2018-05-11 | — | — | CN | disclosed |