Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | GSR | P00390 | 1/20 | 0.33 |
| ▸ | FBP1 | P09467 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19995956 | 0.79 | CES2 (0.36) | CES2CES1TTR | |
| SCHEMBL3133992 | 0.74 | LOXL2 (0.36) | GSR | |
| SCHEMBL3336779 | 0.72 | GSR (0.55) | GSR | |
| SCHEMBL14722721 | 0.72 | — | — | |
| SCHEMBL1444104 | 0.72 | PSEN1 (0.45) | CES2CES1CA9 | |
| Fluoride SCHEMBL28046654 | 0.71 | GSR (0.53) | GSR | |
| SCHEMBL4851936 | 0.70 | ALDH1A1 (0.47) | GSRFBP1 | |
| SCHEMBL3237594 | 0.69 | CES2 (0.35) | CES2CES1TTR | |
| SCHEMBL6258107 | 0.69 | ALDH1A1 (0.53) | CES1CA1 | |
| SCHEMBL2461330 | 0.69 | IGF1R (0.37) | GSRCA12CA1 |
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-2091928-A2 | 3-(2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1740575-A2 | PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2006034093-A2 | 3- (2-ACYLAMINO-1-HYDROXYETHYL)- MORPHOLINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS | ELLI LILLY AND COMPANY (US) | 2006-03-30 | — | — | WO | disclosed |
| WO-2005108358-A2 | PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2005-11-17 | — | — | WO | disclosed |