Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.42 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 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 | |
|---|---|---|---|---|
| SCHEMBL16479775 | 0.80 | TLR9 (0.47) | ALDH1A1TLR9TLR8TLR7HTT | |
| SCHEMBL25692411 | 0.76 | AKT3 (0.45) | ALDH1A1TLR9TLR8TLR7HTT | |
| SCHEMBL24656058 | 0.74 | CHEK2 (0.46) | ALDH1A1HTTSMN1; SMN2HPGDMAPK1 | |
| SCHEMBL29990909 | 0.74 | CYP1A2 (0.50) | ALDH1A1HTTSMN1; SMN2HPGDMAPK1 | |
| SCHEMBL16479768 | 0.74 | TLR9 (0.43) | ALDH1A1TLR9TLR8TLR7HTT | |
| SCHEMBL14572014 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TLR9TLR8TLR7HTT | |
| SCHEMBL12985976 | 0.69 | NPC1 (0.54) | ALDH1A1TLR9TLR8TLR7HTT | |
| SCHEMBL12247423 | 0.69 | HTR2C (0.47) | ALDH1A1TLR9TLR8TLR7HTT | |
| SCHEMBL30865637 | 0.68 | MAPK1 (0.41) | ALDH1A1TLR9TLR8TLR7HTT | |
| SCHEMBL24810236 | 0.68 | MAPK1 (0.41) | ALDH1A1TLR9TLR8TLR7HTT |
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-2012071519-A1 | BENZOXAZEPINES AS INHIBITORS OF P13K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-31 | — | — | WO | disclosed |