Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.36 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.33 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.33 |
| ▸ | KCNJ8 | Q15842 | 2/20 | 0.33 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 5/20 | 0.33 |
| ▸ | DRD3 | P35462 | 5/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD5 | P21918 | 1/20 | 0.31 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7589525 | 1.00 | BACE1 (0.36) | BACE1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL13054247 | 0.95 | BACE1 (0.39) | BACE1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL7557016 | 0.95 | BACE1 (0.39) | BACE1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL13054721 | 0.88 | BACE1 (0.39) | BACE1BACE2PGRALDH1A1NSD2 | |
| SCHEMBL7574530 | 0.88 | BACE1 (0.39) | BACE1BACE2PGRALDH1A1NSD2 | |
| SCHEMBL8213693 | 0.85 | BACE1 (0.38) | BACE1BACE2PGRALDH1A1NSD2 | |
| SCHEMBL7557608 | 0.85 | BACE1 (0.38) | BACE1BACE2PGRALDH1A1NSD2 | |
| SCHEMBL13055205 | 0.85 | BACE1 (0.36) | BACE1BACE2PGRALDH1A1NSD2 | |
| SCHEMBL8202597 | 0.85 | BACE1 (0.36) | BACE1BACE2PGRALDH1A1NSD2 | |
| SCHEMBL7577005 | 0.85 | BACE1 (0.36) | BACE1BACE2PGRALDH1A1NSD2 |
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 |