Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 13/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 11/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14691112 | 0.93 | CASR (0.52) | CASRADRB3ADRB1ADRB2 | |
| SCHEMBL4596502 | 0.83 | ADRB3 (0.53) | ADRB3ADRB1ADRB2 | |
| SCHEMBL6893009 | 0.82 | BCAT2 (0.51) | EPHX2 | |
| SCHEMBL3141390 | 0.82 | BCAT2 (0.51) | EPHX2 | |
| SCHEMBL7487803 | 0.81 | NAAA (0.50) | EPHX2 | |
| SCHEMBL28630946 | 0.80 | MEN1 (0.50) | EPHX1 | |
| SCHEMBL25260371 | 0.79 | CASR (0.51) | CASR | |
| SCHEMBL14691524 | 0.79 | CASR (0.51) | CASR | |
| SCHEMBL29493206 | 0.77 | ADRB3 (0.46) | ADRB3ADRB1ADRB2 | |
| SCHEMBL18548557 | 0.77 | ADRB3 (0.46) | ADRB3ADRB1ADRB2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7872028-B2 | Diaminopropanol renin inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2011-01-18 | — | — | US | claimed |