Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | SLC22A2 | O15244 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13917222 | 0.94 | CYP2C9 (0.41) | CYP2C9MAOBSLC22A2CYP3A4TMEM97 | |
| SCHEMBL13917576 | 0.93 | CYP2C9 (0.41) | CYP2C9SLC22A2CYP3A4TMEM97ABCG2 | |
| SCHEMBL13917374 | 0.92 | CYP2C9 (0.40) | CYP2C9SLC22A2CYP3A4TMEM97ABCG2 | |
| SCHEMBL13917237 | 0.92 | CYP2C9 (0.40) | CYP2C9SLC22A2CYP3A4TMEM97ABCG2 | |
| SCHEMBL13917240 | 0.92 | CYP2C9 (0.40) | CYP2C9SLC22A2CYP3A4TMEM97ABCG2 | |
| SCHEMBL13917389 | 0.91 | P2RX7 (0.40) | CYP2C9SLC22A2CYP3A4TMEM97ABCG2 | |
| SCHEMBL5015221 | 0.91 | EPHX2 (0.39) | CYP2C9MAOBSLC22A2CYP3A4TMEM97 | |
| SCHEMBL13917400 | 0.91 | CYP2C9 (0.40) | CYP2C9MAOBSLC22A2CYP3A4TMEM97 | |
| SCHEMBL13930592 | 0.91 | CYP2C9 (0.41) | CYP2C9SLC22A2CYP3A4TMEM97ABCG2 | |
| SCHEMBL13917367 | 0.91 | P2RX7 (0.43) | CYP2C9KCNK3 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7511037-B2 | N-[[4-fluoro-2-(5-methy-1H-1,2,4-triazol-1-yl)phenyl]methyl]-4-,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-03-31 | — | — | US | disclosed |
| US-7511037-B2 | N-[[4-fluoro-2-(5-methy-1H-1,2,4-triazol-1-yl)phenyl]methyl]-4-,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-03-31 | — | — | US | disclosed |
| US-7491819-B1 | N-[4-Fluorophenyl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-17 | — | — | US | disclosed |
| US-7491819-B1 | N-[4-Fluorophenyl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-pyrimido[2,1-c][1,4]oxazine-2-carboxamide as an HIV integrase inhibitor | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-17 | — | — | US | disclosed |
| EP-1749011-B1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007064316-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-07 | — | — | WO | disclosed |
| US-7176196-B2 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-02-13 | — | — | US | disclosed |
| US-7176196-B2 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-02-13 | — | — | US | disclosed |
| US-7157447-B2 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-02 | — | — | US | disclosed |
| US-7157447-B2 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-02 | — | — | US | disclosed |