Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL4969953 | 1.00 | GAA (0.34) | GAAEPHX1BTKTSHRCTSS | |
| SCHEMBL4971467 | 0.99 | GAA (0.36) | GAAEPHX1BTKTSHRCTSS | |
| SCHEMBL4972576 | 0.99 | GAA (0.36) | GAAEPHX1BTKTSHRCTSS | |
| SCHEMBL4972581 | 0.99 | GAA (0.36) | GAAEPHX1BTKTSHRCTSS | |
| SCHEMBL4971462 | 0.99 | GAA (0.36) | GAAEPHX1BTKTSHRCTSS | |
| SCHEMBL4971796 | 0.85 | GAA (0.35) | GAAEPHX1TSHRCTSSCTSK | |
| SCHEMBL4971803 | 0.85 | GAA (0.35) | GAAEPHX1TSHRCTSSCTSK | |
| SCHEMBL4971669 | 0.84 | EPHX1 (0.33) | GAAEPHX1BTKTSHRCTSS | |
| SCHEMBL4971663 | 0.84 | EPHX1 (0.33) | GAAEPHX1BTKTSHRCTSS | |
| SCHEMBL4753063 | 0.82 | EPHX1 (0.35) | GAAEPHX1TSHRCTSSCTSK |
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-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |