Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 4/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.38 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4969383 | 0.90 | MAOB (0.40) | HTR2AMAOBPDE3BPDE3APOLB | |
| SCHEMBL1252946 | 0.89 | SNCA (0.39) | HTR2AMAOBPDE3BPDE3ASNCA | |
| SCHEMBL4969232 | 0.89 | MAOB (0.40) | HTR2AMAOBCNR2PDE3BPDE3A | |
| SCHEMBL4967569 | 0.85 | PDE4A (0.39) | MAOBAR | |
| SCHEMBL4967204 | 0.84 | MAOB (0.45) | HTR2AMAOBPDE3BPDE3APOLB | |
| SCHEMBL4966417 | 0.80 | TBK1 (0.39) | — | |
| SCHEMBL4969537 | 0.80 | TBK1 (0.39) | — | |
| SCHEMBL4966426 | 0.80 | TBK1 (0.39) | — | |
| SCHEMBL181219 | 0.80 | MAOB (0.49) | MAOBPDE3BPDE3APOLBGAA | |
| SCHEMBL17278234 | 0.80 | HTR2A (0.50) | HTR2ACNR2PDE3BPDE3ALTA4H |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008101938-A1 | GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-08-28 | — | — | WO | disclosed |
| WO-2008101938-A1 | GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-08-28 | — | — | WO | disclosed |