Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | PDE4A | P27815 | 1/20 | 0.59 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.59 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.59 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27765191 | 1.00 | ALDH1A1 (0.60) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL11496731 | 0.96 | ALDH1A1 (0.63) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL811025 | 0.88 | ALDH1A1 (0.50) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6891370 | 0.86 | NQO1 (0.62) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6759689 | 0.86 | NQO1 (0.62) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL811100 | 0.84 | ALDH1A1 (0.52) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL30018702 | 0.84 | PDE4A (0.46) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL1276533 | 0.81 | CYP3A4 (0.59) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL12147725 | 0.80 | ALDH1A1 (0.52) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL27744114 | 0.80 | PDE4A (0.48) | ALDH1A1PDE4APDE4BPDE4CPDE4D |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019198422-A1 | LIQUID CRYSTAL COMPOSITION, MONOMER/(LIQUID CRYSTAL) MIXTURE, POLYMER/(LIQUID CRYSTAL) COMPOSITE MATERIAL, LIQUID CRYSTAL ELEMENT, AND CHIRAL COMPOUND | JNC株式会社 | 2019-10-17 | — | — | WO | disclosed |
| US-7862775-B2 | Determination of explosives including RDX | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-01-04 | — | — | US | disclosed |
| US-7862775-B2 | Determination of explosives including RDX | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-01-04 | — | — | US | disclosed |
| US-20100303672-A1 | DETERMINATION OF EXPLOSIVES INCLUDNIG RDX | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-12-02 | — | — | US | disclosed |
| US-20100303672-A1 | DETERMINATION OF EXPLOSIVES INCLUDNIG RDX | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-12-02 | — | — | US | disclosed |
| US-7666684-B2 | luminescence emission | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-02-23 | — | — | US | disclosed |
| US-7666684-B2 | luminescence emission | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-02-23 | — | — | US | disclosed |
| US-20100022011-A1 | DETERMINATION OF EXPLOSIVES INCLUDING RDX | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-01-28 | — | — | US | disclosed |
| US-20100022011-A1 | DETERMINATION OF EXPLOSIVES INCLUDING RDX | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-01-28 | — | — | US | disclosed |
| WO-2008130376-A2 | DETERMINATION OF EXPLOSIVES INCLUDING RDX | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2008-10-30 | — | — | WO | disclosed |