Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4690945 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MAPTMAPK1HPGDKDM4E | |
| SCHEMBL4685573 | 1.00 | ALDH1A1 (0.40) | ALDH1A1MAPTMAPK1HPGDKDM4E | |
| SCHEMBL7953939 | 0.88 | MAPT (0.50) | ALDH1A1MAPTMAPK1HPGDKDM4E | |
| SCHEMBL7953943 | 0.88 | MAPT (0.50) | ALDH1A1MAPTMAPK1HPGDKDM4E | |
| SCHEMBL7779856 | 0.84 | HTR2A (0.44) | ALDH1A1MAPTMAPK1HPGDKDM4E | |
| SCHEMBL7779864 | 0.84 | HTR2A (0.44) | ALDH1A1MAPTMAPK1HPGDKDM4E | |
| SCHEMBL7779860 | 0.84 | HTR2A (0.44) | ALDH1A1MAPTMAPK1HPGDKDM4E | |
| SCHEMBL7951877 | 0.79 | CYP19A1 (0.55) | ALDH1A1MAPTMAPK1HPGDKDM4E | |
| SCHEMBL7951875 | 0.79 | CYP19A1 (0.55) | ALDH1A1MAPTMAPK1HPGDKDM4E | |
| SCHEMBL7779852 | 0.77 | CYP1A2 (0.40) | ALDH1A1MAPTMAPK1KDM4EHSD17B10 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0885210-B2 | Tricylic compounds having binding affinity for melatonin receptors, their production and use | TAKEDA PHARMACEUTICAL (JP) | 2008-06-18 | — | — | EP | disclosed |
| EP-1550655-A1 | Bicyclic intermediates | Takeda Pharmaceutical Company Limited (JP) | 2005-07-06 | — | — | EP | disclosed |
| EP-0885210-B1 | Tricylic compounds having binding affinity for melatonin receptors, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-06-12 | — | — | EP | disclosed |
| EP-1199304-A1 | Bicyclic compounds and pharmaceutical composition containing tricyclic compound for treating or preventing sleep disorders | Takeda Chemical Industries, Ltd. (JP) | 2002-04-24 | — | — | EP | disclosed |
| EP-0848699-B1 | BENZOCYCLOALKENE COMPOUNDS WITH MELATONINE RECEPTOR BINDING AFFINITY, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-10-24 | — | — | EP | disclosed |
| US-6218429-B1 | TREATING MELATONIN RELATED DISORDERS (E.G. CIRCARDIAN RHYTHMS, SLEEP-AWAKE CYCLES, TIME ZONE CHANGES, SLEEP DISORDERS) | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-17 | — | — | US | disclosed |
| US-6034239-A | BINDIG TO MELATONIN RECEPTORS; SLEEP DISORDERS; GLANDULAR DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-03-07 | — | — | US | disclosed |
| US-5922771-A | MELATONIN RECEPTOR AGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-13 | — | — | US | disclosed |