Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.63 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.51 |
| ▸ | HTR5A | P47898 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10224643 | 0.83 | MTNR1A (0.62) | CYP2A6MTNR1AHTR5AKEAP1NFE2L2 | |
| SCHEMBL2947128 | 0.78 | CYP2A6 (1.00) | CYP2A6KEAP1NFE2L2CA2 | |
| SCHEMBL8549384 | 0.78 | CYP2A6 (0.67) | CYP2A6KEAP1NFE2L2CA2 | |
| SCHEMBL7141321 | 0.78 | CYP2A6 (0.67) | CYP2A6MTNR1AKEAP1NFE2L2CA2 | |
| SCHEMBL8431821 | 0.76 | MTNR1A (0.59) | CYP2A6MTNR1AHTR5ACA2MTNR1B | |
| SCHEMBL10064416 | 0.75 | MTNR1A (0.53) | CYP2A6MTNR1AHTR5AKEAP1NFE2L2 | |
| Hydrochloric Acid SCHEMBL8882742 | 0.75 | MTNR1A (0.58) | CYP2A6MTNR1AHTR5ACA2MTNR1B | |
| SCHEMBL8435916 | 0.74 | KEAP1 (0.64) | MTNR1AKEAP1NFE2L2KDM4EMTNR1B | |
| SCHEMBL8037709 | 0.74 | MTNR1A (0.56) | CYP2A6MTNR1AHTR5ACA2MTNR1B | |
| SCHEMBL274426 | 0.73 | CYP2A6 (0.60) | CYP2A6CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0721938-B1 | Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1999-12-08 | — | — | EP | disclosed |
| US-5780512-A | MELATONINERGIC | ADIR ET COMPAGNIE (FR) | 1998-07-14 | — | — | US | disclosed |
| US-5693665-A | TREATING MELATONINERGIC DISORDERS | ADIR ET COMPAGNIE (FR) | 1997-12-02 | — | — | US | disclosed |
| EP-0721938-A1 | Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1996-07-17 | — | — | EP | disclosed |