Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.35 |
| ▸ | BACE1 | P56817 | 4/20 | 0.35 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7524733 | 0.79 | BACE1 (0.42) | BRD4CYP11B1CYP11B2BACE1BACE2 | |
| SCHEMBL7580303 | 0.65 | BACE1 (0.52) | BRD4CYP11B1CYP11B2BACE1BACE2 | |
| SCHEMBL7524498 | 0.64 | BACE1 (0.40) | CYP11B1CYP11B2BACE1BACE2CYP3A4 | |
| SCHEMBL13557928 | 0.63 | BACE1 (0.38) | BRD4BACE1BACE2 | |
| SCHEMBL12108683 | 0.63 | CYP11B1 (0.65) | CYP11B1CYP11B2KDRCYP1A2CYP3A4 | |
| SCHEMBL7536107 | 0.62 | BACE1 (0.54) | CYP11B1CYP11B2BACE1BACE2CYP1A2 | |
| SCHEMBL11992511 | 0.61 | CYP11B1 (0.54) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7531592 | 0.59 | BACE1 (0.53) | BRD4BACE1BACE2 | |
| SCHEMBL14327635 | 0.59 | CYP11B1 (0.52) | CYP11B1CYP11B2BACE1CYP1A2CYP3A4 | |
| SCHEMBL14857157 | 0.59 | BACE1 (0.47) | BRD4CYP11B1CYP11B2BACE1BACE2 |
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-2005058311-A1 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2005-06-30 | — | — | WO | disclosed |