Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 13/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| SCHEMBL4969232 | 0.88 | MAOB (0.40) | SNCAPDE3BPDE3AALDH1A1CYP2D6 | |
| SCHEMBL1252946 | 0.85 | SNCA (0.39) | SNCAPDE3BPDE3ACYP2A6ALDH1A1 | |
| SCHEMBL4965822 | 0.84 | SNCA (0.38) | SNCAPDE3BPDE3ACYP2A6CYP2C9 | |
| SCHEMBL4966698 | 0.80 | CSNK2A1 (0.36) | ALDH1A1HSD17B10 | |
| SCHEMBL4969143 | 0.79 | POLB (0.36) | SNCAPDE3BPDE3ACYP2A6S1PR1 | |
| SCHEMBL4967178 | 0.77 | SNCA (0.39) | SNCAPDE3BPDE3ACYP2A6CYP2C9 | |
| SCHEMBL1252985 | 0.77 | CYP2A6 (0.35) | CYP2A6 | |
| SCHEMBL4967285 | 0.75 | HTR2A (0.46) | SNCAPDE3BPDE3A | |
| SCHEMBL4966718 | 0.74 | IKBKE (0.36) | — | |
| SCHEMBL4966730 | 0.74 | IKBKE (0.36) | — |
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 |