Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27141135 | 0.91 | KDM4E (0.37) | PDE4APDE4CPDE4DPTGS2PTGS1 | |
| SCHEMBL29506049 | 0.91 | KDM4E (0.37) | PDE4APDE4CPDE4DPTGS2PTGS1 | |
| SCHEMBL31090281 | 0.80 | PDE4A (0.45) | PDE4APDE4CPDE4DADORA2AADORA1 | |
| SCHEMBL1018963 | 0.78 | PDE4A (0.41) | PDE4APDE4CPDE4DADORA2AADORA1 | |
| SCHEMBL538501 | 0.77 | PDE4A (0.44) | PDE4APDE4CPDE4DPTGS2PTGS1 | |
| SCHEMBL28023254 | 0.74 | PDE4A (0.41) | PDE4APDE4CPDE4DADORA2AADORA1 | |
| SCHEMBL9172136 | 0.74 | CA1 (0.51) | CYP19A1CA1CA2CA9ALDH1A1 | |
| SCHEMBL16751245 | 0.74 | PDE4A (0.46) | PDE4APDE4CPDE4DADORA2AADORA1 | |
| SCHEMBL6293150 | 0.73 | CYP2A6 (0.45) | PDE4APDE4CPDE4DKDM4EALDH1A1 | |
| SCHEMBL16738294 | 0.73 | PDE4D (0.47) | PDE4APDE4CPDE4DADORA2AADORA1 |
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-104672152-A | Organic compound and use thereof in synthesis of organometallic complex | SEMICONDUCTOR ENERGY LAB | 2015-06-03 | — | — | CN | disclosed |