Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | REN | P00797 | 10/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4973673 | 0.87 | REN (0.47) | SLC6A2SLC6A4SLC6A3RENCYP3A4 | |
| SCHEMBL3968254 | 0.87 | REN (0.47) | SLC6A2SLC6A4SLC6A3RENCYP3A4 | |
| SCHEMBL4971174 | 0.86 | SLC6A3 (0.36) | SLC6A2SLC6A4SLC6A3KCNH2REN | |
| SCHEMBL4974711 | 0.86 | REN (0.43) | RENCYP3A4 | |
| SCHEMBL4973483 | 0.84 | REN (0.53) | RENCYP3A4 | |
| SCHEMBL2326128 | 0.82 | REN (0.44) | RENDPP4DPP8DPP9DPP7 | |
| SCHEMBL2326131 | 0.82 | REN (0.44) | RENDPP4DPP8DPP9DPP7 | |
| SCHEMBL2326129 | 0.82 | REN (0.44) | RENDPP4DPP8DPP9DPP7 | |
| SCHEMBL4972006 | 0.81 | REN (0.41) | RENCYP3A4 | |
| SCHEMBL4969812 | 0.81 | REN (0.45) | REN |
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 |