Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC3 | O15438 | 1/20 | 0.56 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.56 |
| ▸ | HTR2B | P41595 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.56 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CTSD | P07339 | 4/20 | 0.43 |
| ▸ | REN | P00797 | 3/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5838991 | 0.89 | CA2 (0.53) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL5839161 | 0.87 | ABCC3 (0.56) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL5838563 | 0.86 | ABCC3 (0.55) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL5839468 | 0.85 | ABCC3 (0.53) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL5839184 | 0.85 | ABCC3 (0.53) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL5839235 | 0.84 | ABCC3 (0.57) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL5839261 | 0.82 | ABCC3 (0.54) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL5838875 | 0.80 | ABCC3 (0.54) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL30261823 | 0.80 | ABCC3 (0.65) | ABCC3ABCC4ABCB11PGRABCB1 | |
| SCHEMBL4322422 | 0.80 | ABCC3 (0.53) | ABCC3ABCC4ABCB11PGRABCB1 |
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-6613764-B1 | Compounds such as N,N-dibenzylphenylalanine benzyl ester, used as enzyme inhibitors; prophylaxis of lymphadenopathy associated virus, cancer and malaria | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2003-09-02 | — | — | US | disclosed |