Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 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 | |
|---|---|---|---|---|
| SCHEMBL6893793 | 0.86 | CYP3A4 (0.33) | CES2CES1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL6895046 | 0.84 | IDO1 (0.33) | CES2CES1ADRB1 | |
| SCHEMBL6896012 | 0.83 | PSEN1 (0.30) | — | |
| SCHEMBL6895217 | 0.80 | SIGMAR1 (0.40) | CYP2D6ADRB2 | |
| SCHEMBL6887766 | 0.79 | ALDH1A1 (0.33) | ADRB2 | |
| SCHEMBL6887288 | 0.79 | PDPK1 (0.43) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5578711 | 0.79 | BACE1 (0.35) | — | |
| SCHEMBL6893114 | 0.78 | SIGMAR1 (0.42) | SLC6A2SLC6A4SLC6A3ADRB2 | |
| SCHEMBL6887215 | 0.78 | MAOB (0.41) | — | |
| SCHEMBL6891167 | 0.77 | TACR1 (0.36) | ADRB2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2004502669-A | — | — | 2004-01-29 | — | — | JP | claimed |
| EP-1353898-A2 | COMPOUNDS TO TREAT ALZHEIMER'S DISEASE | Elan Pharmaceuticals, Inc. (US) | 2003-10-22 | — | — | EP | claimed |
| WO-2002002512-A2 | COMPOUNDS TO TREAT ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2002-01-10 | — | — | WO | claimed |