Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 4/20 | 0.45 |
| ▸ | MGLL | Q99685 | 3/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11066887 | 1.00 | KDM1A (0.45) | KDM1AMGLLPDE5APDE4APDE4B | |
| SCHEMBL10979652 | 0.99 | KDM1A (0.46) | KDM1AMGLLPDE5APDE4APDE4B | |
| SCHEMBL10979654 | 0.99 | KDM1A (0.46) | KDM1AMGLLPDE5APDE4APDE4B | |
| SCHEMBL21321635 | 0.95 | KDM1A (0.43) | KDM1AMGLLPDE5APDE4APDE4B | |
| SCHEMBL10983217 | 0.95 | KDM1A (0.47) | KDM1AMGLLPDE5APDE4APDE4B | |
| SCHEMBL10983225 | 0.95 | KDM1A (0.47) | KDM1AMGLLPDE5APDE4APDE4B | |
| SCHEMBL12733687 | 0.92 | KDM1A (0.40) | KDM1AMGLLPDE5APDE4APDE4B | |
| SCHEMBL19721875 | 0.90 | MGLL (0.41) | KDM1AMGLLPDE5A | |
| SCHEMBL19721872 | 0.89 | MGLL (0.43) | KDM1AMGLLMAPTCYP2C9 | |
| SCHEMBL11062830 | 0.89 | THRA (0.42) | KDM1APDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| US-4490305-A | Liquid-crystalline halogen compounds, process for their preparation, dielectrics containing these, and electro-optical display element | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1984-12-25 | — | — | US | disclosed |
| EP-0074608-A2 | Liquid crystal halogen compounds, process for their preparation, dielectric and dectrooptical display element containing them | MERCK PATENT GmbH (DE) | 1983-03-23 | — | — | EP | disclosed |