Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4969623 | 0.88 | HTR2A (0.49) | HTR2AMPOALDH1A1CYP2D6ATM | |
| SCHEMBL4966698 | 0.86 | CSNK2A1 (0.36) | HTR2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL4967818 | 0.83 | DHFR (0.40) | HTR2AMPOSMN1; SMN2ALDH1A1CYP2D6 | |
| SCHEMBL4969232 | 0.81 | MAOB (0.40) | HTR2ASLC6A4ALDH1A1CYP2D6LMNA | |
| SCHEMBL4967758 | 0.81 | MPO (0.41) | HTR2AMPOALDH1A1CYP2D6ATM | |
| SCHEMBL4967785 | 0.79 | PDE4A (0.41) | HTR2ASLC6A4MPOALDH1A1LMNA | |
| SCHEMBL4965832 | 0.77 | FPR1 (0.42) | SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL1252319 | 0.76 | ALDH1A1 (0.44) | HTR2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL4971131 | 0.73 | PDE4D (0.40) | — | |
| SCHEMBL14116480 | 0.73 | PDE4D (0.40) | — |
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 1 patent. 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 |