Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.35 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.35 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7507058 | 0.90 | PDE4B (0.41) | PDE4BS1PR5KMT2AALDH1A1THRB | |
| SCHEMBL7511978 | 0.86 | PDE4B (0.40) | PDE4BS1PR5KMT2AMEN1S1PR1 | |
| SCHEMBL10787040 | 0.85 | LMNA (0.37) | PDE4BKMT2AALDH1A1MEN1KDM4E | |
| SCHEMBL8043547 | 0.83 | L3MBTL1 (0.40) | PDE4BS1PR5KMT2AMEN1LMNA | |
| SCHEMBL8044997 | 0.82 | L3MBTL1 (0.39) | PDE4BS1PR5KMT2AMEN1S1PR1 | |
| SCHEMBL8045475 | 0.81 | GLA (0.41) | PDE4BKMT2AMEN1KDM4ELMNA | |
| SCHEMBL7514436 | 0.79 | HTT (0.43) | PDE4BKMT2AALDH1A1MEN1 | |
| SCHEMBL8078671 | 0.75 | TSHR (0.41) | PDE4BS1PR5KMT2AMEN1S1PR1 | |
| SCHEMBL7513588 | 0.73 | CASP1 (0.41) | S1PR5KMT2AALDH1A1MEN1CYSLTR2 | |
| SCHEMBL8562488 | 0.72 | HSD11B1 (0.39) | S1PR5KMT2AMEN1S1PR1S1PR3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0155317-B1 | LIQUID CRYSTAL MIXTURES AND NEW ANISOTROPIC COMPOUNDS THEREFOR | MERCK PATENT GmbH (DE) | 1987-07-08 | — | — | EP | disclosed |
| EP-0155317-A1 | LIQUID CRYSTAL MIXTURES AND NEW ANISOTROPIC COMPOUNDS THEREFOR. | MERCK PATENT GMBH (DE) | 1985-09-25 | — | — | EP | disclosed |
| WO-1985001295-A1 | LIQUID CRYSTAL MIXTURES AND NEW ANISOTROPIC COMPOUNDS THEREFOR | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1985-03-28 | — | — | WO | disclosed |