Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.30 |
| ▸ | SCN5A | Q14524 | 5/20 | 0.30 |
| ▸ | KCND2 | Q9NZV8 | 5/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9753473 | 0.78 | CYP1A2 (0.32) | CYP1A2 | |
| SCHEMBL9831661 | 0.77 | CYP1A2 (0.39) | CYP1A2 | |
| SCHEMBL10519781 | 0.77 | CYP1A2 (0.39) | CYP1A2 | |
| SCHEMBL12388313 | 0.74 | CYP1A2 (0.38) | CYP1A2 | |
| SCHEMBL21120996 | 0.74 | CYP1A2 (0.42) | CYP1A2 | |
| SCHEMBL21129873 | 0.74 | CYP1A2 (0.42) | CYP1A2 | |
| SCHEMBL6111083 | 0.74 | CYP1A2 (0.42) | CYP1A2 | |
| SCHEMBL8789140 | 0.73 | MEN1 (0.40) | — | |
| SCHEMBL12243011 | 0.73 | CYP1A2 (0.41) | CYP1A2 | |
| SCHEMBL29791664 | 0.72 | CA12 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0501997-B1 | N-ACYL-SUBSTITUTED AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS | SMITHKLINE BEECHAM SPA (IT) | 1997-01-29 | — | — | EP | disclosed |
| WO-1991008206-A1 | N-ACYL-SUBSTITUTED AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE AS PHARMACEUTICALS | DR. LO. ZAMBELETTI S.P.A. (IT) | 1991-06-13 | — | — | WO | disclosed |