Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.48 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | HTR2B | P41595 | 2/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL25221643 | 0.83 | GABRA1 (0.54) | GABRA1GABRB2GABRB1CA1CA2 | |
| SCHEMBL27705273 | 0.82 | PDE4A (0.41) | GABRA1GABRB1PTGS1PDE4BPDE4A | |
| SCHEMBL6244483 | 0.81 | GABRA1 (0.45) | GABRA1GABRB2GABRB1CA1CA2 | |
| SCHEMBL27711656 | 0.81 | PDE4B (0.39) | CYP1A2CYP3A4PDE4BPDE4APDE4C | |
| SCHEMBL25264830 | 0.79 | GABRA1 (0.46) | GABRA1GABRB2GABRB1CA1CA2 | |
| SCHEMBL28412354 | 0.78 | PDE4B (0.46) | GABRA1GABRB2GABRB1CA1CA2 | |
| SCHEMBL27619933 | 0.78 | GABRA1 (0.50) | GABRA1GABRB2GABRB1CA1CA2 | |
| SCHEMBL1868729 | 0.78 | GABRA1 (0.59) | GABRA1GABRB2GABRB1CA1CA2 | |
| SCHEMBL1535884 | 0.77 | BACE1 (0.54) | CYP1A2CYP3A4HPGDPDE4BPDE4A | |
| SCHEMBL8134144 | 0.77 | GABRA1 (0.42) | GABRA1GABRB2GABRB1CA1CA2 |
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-114478337-B | Axial chiral sulfur-containing diaryl derivative and synthesis method thereof | 安徽泽升科技有限公司上海分公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-114478337-A | Axial chiral sulfur-containing diaryl derivative and synthesis method thereof | 安徽泽升科技有限公司上海分公司 | 2022-05-13 | — | — | CN | disclosed |