Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.81 |
| ▸ | ABCC3 | O15438 | 2/20 | 0.81 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.81 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.81 |
| ▸ | PGR | P06401 | 2/20 | 0.81 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.81 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.81 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.81 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.81 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.81 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.81 |
| ▸ | HTR2B | P41595 | 2/20 | 0.81 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.81 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.81 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.81 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CTSD | P07339 | 2/20 | 0.39 |
| ▸ | GHSR | Q92847 | 2/20 | 0.35 |
| ▸ | REN | P00797 | 6/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17787455 | 1.00 | CYP3A4 (0.81) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL20099131 | 1.00 | CYP3A4 (0.81) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL20099154 | 0.94 | CYP3A4 (0.72) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL20099153 | 0.94 | CYP3A4 (0.72) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL3042268 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL22241592 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL13065521 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL22382744 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL13370718 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| Lopinavir SCHEMBL21775 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCC3ABCC4ABCB11PGR |
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-9352010-B2 | Treatment of HIV-1 infection and AIDS | THE J. DAVID GLADSTONE INSTITUTES (US) | 2016-05-31 | — | — | US | disclosed |