Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4968389 | 0.91 | ALDH1A1 (0.45) | ALDH1A1MAPTMTNR1AMTNR1BHPGD | |
| SCHEMBL4965493 | 0.90 | ALDH1A1 (0.46) | ALDH1A1MAPTHPGDMEN1KMT2A | |
| SCHEMBL4965832 | 0.85 | FPR1 (0.42) | ALDH1A1MAPTMTNR1AMTNR1BHPGD | |
| SCHEMBL1252277 | 0.83 | GABRA1 (0.44) | ALDH1A1MAPTHPGDHSD17B10MEN1 | |
| SCHEMBL4965236 | 0.83 | PDE4A (0.45) | ALDH1A1MAPTMEN1KMT2ANPSR1 | |
| SCHEMBL4966867 | 0.82 | ALDH1A1 (0.54) | ALDH1A1MAPTHPGDMEN1KMT2A | |
| SCHEMBL4967755 | 0.81 | MAPT (0.44) | ALDH1A1MAPTMTNR1AMTNR1BHPGD | |
| SCHEMBL14116479 | 0.78 | PDE4D (0.42) | KMT2A | |
| SCHEMBL4966888 | 0.78 | PDE4D (0.42) | KMT2A | |
| SCHEMBL4966904 | 0.78 | PDE4D (0.42) | KMT2A |
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 |