Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT1A1 | P22309 | 3/20 | 0.65 |
| ▸ | MLNR | O43193 | 1/20 | 0.65 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.65 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.65 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.65 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.65 |
| ▸ | CCKAR | P32238 | 1/20 | 0.65 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.65 |
| ▸ | GHSR | Q92847 | 1/20 | 0.65 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.65 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.65 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CTSD | P07339 | 2/20 | 0.44 |
| ▸ | CTSE | P14091 | 1/20 | 0.44 |
| ▸ | PGC | P20142 | 1/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 8/20 | 0.44 |
| ▸ | PSEN2 | P49810 | 8/20 | 0.44 |
| ▸ | APH1B | Q8WW43 | 8/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7403141 | 0.97 | UGT1A1 (0.65) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL7400288 | 0.92 | MLNR (0.54) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL7404403 | 0.91 | UGT1A1 (0.64) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL7404029 | 0.89 | UGT1A1 (0.74) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL7404435 | 0.86 | UGT1A1 (0.74) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL7405029 | 0.86 | UGT1A1 (0.57) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL7547783 | 0.86 | MLNR (0.45) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL7547786 | 0.86 | MLNR (0.45) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL29623988 | 0.84 | UGT1A1 (0.81) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL6253 | 0.84 | UGT1A1 (0.91) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0876336-B1 | AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES | NOVARTIS AG (CH) | 2002-06-05 | — | — | EP | claimed |
| US-6225345-B1 | FOR THERAPY OF ACQUIRED IMMUNODEFICIENCY SYNDROME | NOVARTIS AG (CH) | 2001-05-01 | — | — | US | claimed |
| EP-0876336-A1 | AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES | Novartis AG (CH) | 1998-11-11 | — | — | EP | claimed |
| WO-1997019055-A1 | AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES | NOVARTIS AG (CH) | 1997-05-29 | — | — | WO | claimed |
| EP-0876336-B1 | AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES | NOVARTIS AG (CH) | 2002-06-05 | — | — | EP | disclosed |
| US-6225345-B1 | FOR THERAPY OF ACQUIRED IMMUNODEFICIENCY SYNDROME | NOVARTIS AG (CH) | 2001-05-01 | — | — | US | disclosed |
| EP-0876336-A1 | AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES | Novartis AG (CH) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997019055-A1 | AZAHEXANE DERIVATIVES AS SUBSTRATE ISOSTERS OF RETROVIRAL ASPARATE PROTEASES | NOVARTIS AG (CH) | 1997-05-29 | — | — | WO | disclosed |