Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 8/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | CDK8 | P49336 | 1/20 | 0.33 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | PRKX | P51817 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.33 |
| ▸ | STK3 | Q13188 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3863182 | 0.86 | BACE1 (0.41) | BACE1KDM4EHSD17B10 | |
| SCHEMBL3854002 | 0.84 | HCAR3 (0.43) | BACE1HCAR3 | |
| SCHEMBL2018841 | 0.78 | KDM4E (0.42) | GPR119TDP1POLBKDM4ESMN1; SMN2 | |
| SCHEMBL2257869 | 0.76 | POLB (0.48) | GPR119TDP1POLBKDM4ESMN1; SMN2 | |
| SCHEMBL2260765 | 0.75 | KDM4D (0.40) | POLBKDM4ESMN1; SMN2HSD17B10 | |
| SCHEMBL2021183 | 0.74 | TTR (0.38) | BACE1KDM4ESMN1; SMN2ACLY | |
| SCHEMBL23684534 | 0.70 | HCAR3 (0.54) | CDC7DAPK3PRKD3MAP4K4PAK4 | |
| SCHEMBL3713155 | 0.70 | TDP1 (0.41) | CDK2TDP1KDM4EHSD17B10 | |
| SCHEMBL2419105 | 0.70 | TDP1 (0.41) | TDP1KDM4EHSD17B10 | |
| SCHEMBL5158405 | 0.70 | HCAR3 (0.43) | BACE1S1PR1HCAR3TDP1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740575-A2 | PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2007-01-10 | — | — | EP | disclosed |
| EP-1740573-A1 | AMIDES AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005108358-A2 | PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2005-11-17 | — | — | WO | disclosed |
| WO-2005108391-A1 | AMIDES AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2005-11-17 | — | — | WO | disclosed |