Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | HTR1A | P08908 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.50 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.50 |
| ▸ | HTR1D | P28221 | 1/20 | 0.50 |
| ▸ | HTR1B | P28222 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29824041 | 0.98 | CYP2C19 (0.51) | CYP2C19CYP1A2LMNACYP3A4TSHR | |
| SCHEMBL1720100 | 0.98 | CYP2C19 (0.51) | CYP2C19CYP1A2LMNACYP3A4TSHR | |
| SCHEMBL30913182 | 0.96 | CYP2C19 (0.50) | CYP2C19CYP1A2LMNACYP3A4TSHR | |
| SCHEMBL9352680 | 0.85 | CYP2C19 (0.51) | CYP2C19CYP1A2LMNACYP3A4TSHR | |
| SCHEMBL9348782 | 0.84 | CYP2C19 (0.46) | CYP2C19CYP1A2LMNACYP3A4TSHR | |
| SCHEMBL10814873 | 0.83 | CYP2C19 (0.61) | CYP2C19CYP1A2LMNACYP3A4TSHR | |
| SCHEMBL9349122 | 0.82 | CYP2C19 (0.45) | CYP2C19CYP1A2LMNACYP3A4TSHR | |
| SCHEMBL30913172 | 0.81 | CYP2C19 (0.52) | CYP2C19CYP1A2LMNACYP3A4TSHR | |
| SCHEMBL30913173 | 0.81 | CYP2C19 (0.52) | CYP2C19CYP1A2LMNACYP3A4TSHR | |
| SCHEMBL10000643 | 0.81 | CYP2C19 (0.52) | CYP2C19CYP1A2LMNACYP3A4TSHR |
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-117986196-A | Clean preparation method of antioxidant 1790 | 巨野百林化学有限公司 | 2024-05-07 | — | — | CN | disclosed |