Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | SNCA | P37840 | 1/20 | 0.31 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.31 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 4/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7582435 | 0.91 | BACE1 (0.34) | BACE1ALDH1A1 | |
| SCHEMBL7589796 | 0.90 | ALDH1A1 (0.32) | KMT2AMEN1MAPTBACE1ALDH1A1 | |
| SCHEMBL7589838 | 0.89 | BACE1 (0.36) | BACE1CYP3A4 | |
| SCHEMBL7541955 | 0.88 | BACE1 (0.36) | KMT2AMEN1MAPTBACE1MCHR1 | |
| SCHEMBL13054897 | 0.88 | BACE1 (0.36) | KMT2AMEN1MAPTBACE1MCHR1 | |
| SCHEMBL7584854 | 0.87 | BACE1 (0.30) | BACE1 | |
| SCHEMBL7582630 | 0.86 | KDM1A (0.31) | BACE1SLC6A2SLC6A4 | |
| SCHEMBL7584371 | 0.85 | BACE1 (0.31) | BACE1 | |
| SCHEMBL7584231 | 0.85 | ELANE (0.33) | BACE1CYP3A4KDM4EHTT | |
| SCHEMBL7581043 | 0.85 | BACE1 (0.31) | BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8183252-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-22 | — | — | US | disclosed |