Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 10/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | AKT2 | P31751 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27416467 | 1.00 | OPRM1 (0.54) | OPRM1HTR2AAKT2PTGDR2BACE1 | |
| SCHEMBL27416466 | 0.81 | OPRM1 (0.39) | OPRM1BACE1DRD4GRIN2DGRIN3B | |
| SCHEMBL6544448 | 0.79 | BACE1 (0.56) | OPRM1HTR2AAKT2PTGDR2BACE1 | |
| SCHEMBL8368095 | 0.74 | OPRM1 (0.36) | OPRM1HTR2APTGDR2CYP2D6MEN1 | |
| SCHEMBL738518 | 0.73 | OPRM1 (1.00) | OPRM1HTR2AAKT2DRD4GRIN2D | |
| Hydrochloric Acid SCHEMBL1765284 | 0.72 | OPRM1 (0.95) | OPRM1HTR2AAKT2DRD4GRIN2D | |
| Acetic Acid SCHEMBL8333150 | 0.68 | OPRM1 (0.77) | OPRM1HTR2AAKT2PTGDR2OPRL1 | |
| Water SCHEMBL6543259 | 0.67 | BACE1 (0.41) | OPRM1HTR2AAKT2PTGDR2BACE1 | |
| SCHEMBL21788599 | 0.67 | OPRM1 (0.63) | OPRM1HTR2AAKT2PTGDR2OPRL1 | |
| SCHEMBL8279670 | 0.67 | BACE1 (0.63) | BACE1MEN1KMT2A |
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-1923391-A1 | Substituted heterocyclic compounds, method for preparing same and pharmaceutical compositions containing them. | sanofi-aventis (FR) | 2008-05-21 | — | — | EP | disclosed |
| EP-1688416-A1 | Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them | Sanofi-Aventis (FR) | 2006-08-09 | — | — | EP | disclosed |
| EP-1156049-B1 | Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them | SANOFI AVENTIS (FR) | 2005-06-01 | — | — | EP | disclosed |
| EP-1340754-A1 | Substituted heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them | SANOFI-SYNTHELABO (FR) | 2003-09-03 | — | — | EP | disclosed |
| EP-0807111-B1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI SYNTHELABO (FR) | 2002-08-14 | — | — | EP | disclosed |
| EP-1156049-A1 | Substituted heterocyclic compounds, their process of preparation and pharmaceutical compositions containing them | SANOFI-SYNTHELABO (FR) | 2001-11-21 | — | — | EP | disclosed |
| EP-0807111-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI (FR) | 1997-11-19 | — | — | EP | disclosed |
| WO-1996023787-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | SANOFI (FR) | 1996-08-08 | — | — | WO | disclosed |