Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL4290107 | 0.90 | DPP4 (0.32) | TACR1DPP4 | |
| SCHEMBL4294960 | 0.87 | BACE1 (0.35) | TACR1 | |
| SCHEMBL3232203 | 0.79 | BACE1 (0.36) | TACR1DPP4HDAC1HDAC2NR1H2 | |
| SCHEMBL3232192 | 0.79 | BACE1 (0.36) | TACR1DPP4HDAC1HDAC2NR1H2 | |
| SCHEMBL3232198 | 0.79 | BACE1 (0.36) | TACR1DPP4HDAC1HDAC2NR1H2 | |
| SCHEMBL4295183 | 0.77 | BACE1 (0.36) | TACR1 | |
| SCHEMBL5155797 | 0.77 | ALOX5AP (0.42) | DPP4 | |
| SCHEMBL5159070 | 0.76 | PDE8B (0.40) | DPP4 | |
| SCHEMBL4301504 | 0.76 | KLK7 (0.33) | TACR1NR1H2NR1H3 | |
| SCHEMBL3232215 | 0.72 | BACE1 (0.49) | — |
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-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 |
| 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 |