Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NQO1 | P15559 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | ALDH2 | P05091 | 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 | |
|---|---|---|---|---|
| SCHEMBL1660191 | 0.87 | GAA (0.63) | GAAKDM4EALDH1A1MAPTHSD17B10 | |
| SCHEMBL592263 | 0.83 | KDM4E (0.54) | GAAKDM4EALDH1A1MAPTHSD17B10 | |
| SCHEMBL2450078 | 0.82 | KDM4E (0.71) | GAAKDM4EALDH1A1MAPTHSD17B10 | |
| SCHEMBL31222315 | 0.78 | GAA (0.60) | GAAKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL5375965 | 0.78 | GAA (0.60) | GAAKDM4EALDH1A1MAPTHSD17B10 | |
| SCHEMBL3170077 | 0.78 | GAA (0.60) | GAAKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL11788423 | 0.78 | GAA (0.60) | GAAKDM4EALDH1A1MAPTHSD17B10 | |
| SCHEMBL27767731 | 0.76 | GAA (0.54) | GAAKDM4EALDH1A1MAPTHSD17B10 | |
| SCHEMBL4953673 | 0.76 | GAA (0.57) | GAAKDM4EALDH1A1MAPTHPGD | |
| SCHEMBL5459905 | 0.76 | KDM4E (1.00) | KDM4EALDH1A1MAPTCYP3A4SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120202754-A1 | ENHANCED SUBSTRATES FOR THE PROTEASE ACTIVITY OF SEROTYPE A BOTULINUM NEUROTOXIN | SCHMIDT JAMES J (US) | 2012-08-09 | — | — | US | disclosed |
| WO-2011047241-A1 | ENHANCED SUBSTRATES FOR THE PROTEASE ACTIVITY OF SEROTYPE A BOTULINUM NEUROTOXIN | DEPARTMENT OF THE US ARMY (US) | 2011-04-21 | — | — | WO | disclosed |