Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 3/20 | 0.36 |
| ▸ | F10 | P00742 | 4/20 | 0.35 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.35 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | UGCG | Q16739 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4720118 | 1.00 | SMPD3 (0.36) | SMPD3F10SUV39H2DDR1PDE4A | |
| Hydrochloric Acid SCHEMBL4719632 | 0.90 | CHRM1 (0.36) | F10PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4720529 | 0.88 | SMPD3 (0.40) | SMPD3F10SUV39H2UGCG | |
| SCHEMBL4720535 | 0.88 | SMPD3 (0.40) | SMPD3F10SUV39H2UGCG | |
| SCHEMBL4724110 | 0.88 | SMPD3 (0.40) | SMPD3F10SUV39H2UGCG | |
| SCHEMBL4720791 | 0.87 | MTNR1A (0.36) | F10PDE2AUGCG | |
| SCHEMBL4720787 | 0.87 | MTNR1A (0.36) | F10PDE2AUGCG | |
| SCHEMBL4721705 | 0.86 | MTNR1A (0.42) | F10UGCG | |
| SCHEMBL4721701 | 0.86 | MTNR1A (0.42) | F10UGCG | |
| SCHEMBL4724510 | 0.86 | PDE4A (0.36) | F10PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |