Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.36 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6176011 | 0.86 | CYP2C9 (0.36) | CYP2C9VKORC1MGAMGAASI | |
| SCHEMBL8809857 | 0.83 | HDAC4 (0.32) | CYP2C9HDAC4HDAC2HDAC8 | |
| SCHEMBL8807016 | 0.83 | CYP2C9 (0.31) | CYP2C9VKORC1MGAMGAASI | |
| SCHEMBL7889117 | 0.82 | CYP2C9 (0.33) | CYP2C9VKORC1MGAMGAASI | |
| SCHEMBL7406195 | 0.82 | CYP2C9 (0.33) | CYP2C9VKORC1MGAMGAASI | |
| SCHEMBL7541486 | 0.81 | VKORC1 (0.35) | CYP2C9VKORC1 | |
| SCHEMBL7403423 | 0.81 | PTPN1 (0.35) | CYP2C9HDAC4HDAC2HDAC8 | |
| SCHEMBL9198709 | 0.81 | CYP2C9 (0.40) | CYP2C9VKORC1 | |
| SCHEMBL7406139 | 0.81 | CYP2C9 (0.32) | CYP2C9VKORC1MGAMGAASI | |
| SCHEMBL7402934 | 0.80 | MGLL (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6169181-B1 | HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS | PHARMACIA & UPJOHN COMPANY | 2001-01-02 | — | — | US | disclosed |
| WO-1995030670-A2 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-16 | — | — | WO | disclosed |