Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2712897 | 0.97 | ADORA2A (0.36) | ADORA2AADORA1ALDH1A1HPGDGAA | |
| SCHEMBL2711845 | 0.88 | ALDH1A1 (0.43) | ADORA2AADORA1ALDH1A1HPGDGAA | |
| SCHEMBL2712767 | 0.86 | ALDH1A1 (0.42) | ADORA2AADORA1ALDH1A1HPGDKDM4E | |
| SCHEMBL5853270 | 0.85 | ALDH1A1 (0.41) | ADORA2AADORA1ALDH1A1HPGDGAA | |
| SCHEMBL2712965 | 0.83 | KDM4E (0.40) | ALDH1A1GAAKDM4EMEN1KMT2A | |
| SCHEMBL6465278 | 0.82 | MAP4K1 (0.37) | SRD5A1TYK2USP30 | |
| SCHEMBL5221158 | 0.79 | MEN1 (0.48) | ALDH1A1HPGDGAAKDM4EMEN1 | |
| SCHEMBL2712865 | 0.79 | HDAC1 (0.34) | ALDH1A1GLAUCHL1USP30 | |
| SCHEMBL22425776 | 0.77 | ADORA2A (0.42) | ADORA2AADORA1ALDH1A1HPGDGAA | |
| SCHEMBL2711600 | 0.75 | HPGD (0.38) | ADORA1ALDH1A1HPGDGAAKDM4E |
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-2012054510-A1 | OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |
| WO-2012054510-A1 | OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |