Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.34 |
| ▸ | BMPR2 | Q13873 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | STK4 | Q13043 | 2/20 | 0.32 |
| ▸ | STK3 | Q13188 | 2/20 | 0.32 |
| ▸ | STK26 | Q9P289 | 2/20 | 0.32 |
| ▸ | STK24 | Q9Y6E0 | 2/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 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 | |
|---|---|---|---|---|
| SCHEMBL4651945 | 0.72 | BACE1 (0.53) | BACE1 | |
| SCHEMBL4651126 | 0.67 | BACE1 (0.42) | BACE1BMPR2STK4STK3STK26 | |
| SCHEMBL14327845 | 0.60 | PARP10 (0.42) | BMPR2PARP1 | |
| SCHEMBL5072757 | 0.60 | IRAK1 (0.42) | BMPR2PARP1TSHRSTK4STK3 | |
| SCHEMBL10066576 | 0.58 | CCNE1 (0.42) | BMPR2PARP1TSHRSTK3STK26 | |
| SCHEMBL4883975 | 0.58 | CRBN (0.40) | BMPR2ALOX5PARP1CRBN | |
| SCHEMBL10008159 | 0.57 | GRM5 (0.53) | ALOX5PARP1GRM5 | |
| SCHEMBL31557611 | 0.56 | TSHR (0.38) | TSHR | |
| SCHEMBL31557612 | 0.56 | TSHR (0.38) | BACE1TSHR | |
| SCHEMBL14336412 | 0.56 | BMPR2 (0.50) | BMPR2LRRK2STK4STK3STK26 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1968954-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007077004-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2007-07-12 | — | — | WO | disclosed |