Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 4/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | SHBG | P04278 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 5/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28606752 | 0.76 | ESR1 (0.66) | TYRPTGS1PTGS2PDE4BPDE4D | |
| SCHEMBL28610989 | 0.72 | MAOB (0.45) | ABCB1CA12CA1CA9 | |
| SCHEMBL2868026 | 0.67 | ESR1 (0.50) | PTGS1ESR1ESR2CA12CA1 | |
| SCHEMBL25165539 | 0.66 | MAOB (0.42) | TYRPTGS1PTGS2PDE4BPDE4D | |
| SCHEMBL3927440 | 0.64 | APP (0.59) | PDE4DESR1ESR2APP | |
| SCHEMBL28381454 | 0.63 | MAPT (0.51) | PTGS2CALCRLESR1ESR2SHBG | |
| SCHEMBL15724664 | 0.63 | DYRK1A (0.40) | PTGS1PTGS2CA1CA9 | |
| SCHEMBL5535490 | 0.63 | — | — | |
| SCHEMBL24303561 | 0.63 | — | — | |
| SCHEMBL29216611 | 0.62 | PTGS1 (0.65) | TYRPTGS1PTGS2PDE4BPDE4D |
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-109181712-B | Benzofuran liquid crystal compound with difluoromethyl ether bridge bond and composition thereof | 西安近代化学研究所 | 2021-08-20 | — | — | CN | disclosed |