Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.79 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.79 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.79 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.79 |
| ▸ | TACR2 | P21452 | 2/20 | 0.79 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.79 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.79 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.79 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.79 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.79 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.79 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.79 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.79 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.79 |
| ▸ | HTR1A | P08908 | 1/20 | 0.79 |
| ▸ | DRD2 | P14416 | 1/20 | 0.79 |
| ▸ | DRD3 | P35462 | 1/20 | 0.79 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.79 |
| ▸ | HTR2B | P41595 | 1/20 | 0.79 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.79 |
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 | |
|---|---|---|---|---|
| Saquinavir SCHEMBL13575784 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCB1ABCC4ABCB11TACR2 | |
| Saquinavir SCHEMBL8584252 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCB1ABCC4ABCB11TACR2 | |
| Saquinavir SCHEMBL13953012 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCB1ABCC4ABCB11TACR2 | |
| Saquinavir SCHEMBL8584255 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCB1ABCC4ABCB11TACR2 | |
| Saquinavir SCHEMBL20451344 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCB1ABCC4ABCB11TACR2 | |
| Saquinavir SCHEMBL1176566 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCB1ABCC4ABCB11TACR2 | |
| Saquinavir SCHEMBL6881 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCB1ABCC4ABCB11TACR2 | |
| Saquinavir SCHEMBL1976548 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCB1ABCC4ABCB11TACR2 | |
| Saquinavir SCHEMBL21683360 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCB1ABCC4ABCB11TACR2 | |
| Saquinavir SCHEMBL29357501 | 0.89 | CYP3A4 (1.00) | CYP3A4ABCB1ABCC4ABCB11TACR2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0810873-A1 | ANTIVIRAL COMBINATIONS OF BCH-189 AND RITONAVIR | GLAXO GROUP LIMITED (GB) | 1997-12-10 | — | — | EP | disclosed |
| US-5627186-A | Antiviral combinations | GLAXO GROUP LIMITED (GB) | 1997-05-06 | — | — | US | disclosed |
| US-5610307-A | Direct isolution of optically pure (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | THE NUTRA SWEET COMPANY (US) | 1997-03-11 | — | — | US | disclosed |
| WO-1996026734-A1 | ANTIVIRAL COMBINATIONS OF BCH-189 AND RITONAVIR | GLAXO GROUP LIMITED (GB) | 1996-09-06 | — | — | WO | disclosed |
| EP-0513917-B1 | Antiviral combinations containing nucleoside analogs | GLAXO GROUP LTD (GB) | 1995-12-20 | — | — | EP | disclosed |
| EP-0513917-A1 | Antiviral combinations containing nucleoside analogs | GLAXO GROUP LIMITED (GB) | 1992-11-19 | — | — | EP | disclosed |