Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 10/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.34 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 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 | |
|---|---|---|---|---|
| SCHEMBL25732142 | 0.79 | LMNA (0.42) | KIF11CYP19A1MTNR1AALDH1A1GAA | |
| SCHEMBL4685390 | 0.77 | KIF11 (0.41) | KIF11MTNR1AKDM1AMAOAMAOB | |
| SCHEMBL4685386 | 0.77 | KIF11 (0.41) | KIF11MTNR1AKDM1AMAOAMAOB | |
| SCHEMBL4685615 | 0.71 | CYP19A1 (0.36) | KIF11CYP19A1SIRT1 | |
| SCHEMBL338965 | 0.68 | MTNR1A (0.44) | MTNR1AMTNR1BDYRK1ADYRK2DYRK1B | |
| SCHEMBL14939509 | 0.68 | SLC6A2 (0.44) | CYP19A1ALDH1A1 | |
| SCHEMBL5952463 | 0.68 | NOS3 (0.50) | CYP19A1 | |
| SCHEMBL14939858 | 0.68 | NOS3 (0.50) | KIF11CYP19A1 | |
| SCHEMBL8473758 | 0.65 | PTPRC (0.42) | MTNR1AALDH1A1HPGDHSD17B10MTNR1B | |
| SCHEMBL14939628 | 0.65 | KDM4E (0.50) | CYP19A1ALDH1A1HPGDHSD17B10NPC1 |
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 |
| 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 |
| EP-0885210-A1 | Tricylic compounds having binding affinity for melatonin receptors, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997032871-A1 | TRICYCLIC COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-09-12 | — | — | WO | disclosed |