Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 10/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5158280 | 0.88 | HCAR3 (0.46) | BACE1PTGS2HCAR3LMNAKDM4E | |
| SCHEMBL3860110 | 0.87 | BACE1 (0.45) | BACE1PTGS2HCAR3TLR8 | |
| SCHEMBL5159393 | 0.81 | TLR8 (0.42) | PTGS2HCAR3KDM4EALDH1A1HSD17B10 | |
| SCHEMBL5153905 | 0.80 | HCAR3 (0.37) | PTGS2HCAR3LMNAKDM4EALDH1A1 | |
| SCHEMBL3854401 | 0.79 | BACE1 (0.38) | BACE1HCAR3LMNAKMT2AKDM4E | |
| SCHEMBL3854398 | 0.79 | BACE1 (0.38) | BACE1HCAR3LMNAKMT2AKDM4E | |
| SCHEMBL4509116 | 0.79 | BACE1 (0.60) | BACE1LMNAKMT2AKDM4EMEN1 | |
| SCHEMBL3855487 | 0.78 | KDM4E (0.39) | BACE1HCAR3LMNAKMT2AKDM4E | |
| SCHEMBL3863182 | 0.76 | BACE1 (0.41) | BACE1PTGS2LMNAKMT2AKDM4E | |
| SCHEMBL2018841 | 0.75 | KDM4E (0.42) | LMNAKMT2AKDM4EMEN1ALDH1A1 |
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-1740575-A2 | PYRROLIDINE DERIVATIVES USEFUL 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 |