Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.37 |
| ▸ | MAP1LC3A | Q9H492 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.37 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 3/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7405458 | 0.84 | SIGMAR1 (0.36) | ACHEPRKDC | |
| SCHEMBL7405459 | 0.83 | HDAC1 (0.34) | ACHEMAP1LC3BMAP1LC3AHDAC1NQO1 | |
| SCHEMBL7400973 | 0.82 | MAOB (0.40) | ACHEMAP1LC3BMAP1LC3ANQO1 | |
| SCHEMBL7403592 | 0.81 | NQO1 (0.36) | ACHEMAP1LC3BMAP1LC3ANQO1 | |
| SCHEMBL7400677 | 0.79 | ROCK2 (0.35) | ACHE | |
| SCHEMBL7405503 | 0.79 | FABP1 (0.44) | MAP1LC3BMAP1LC3A | |
| SCHEMBL7359563 | 0.79 | CYP2C9 (0.58) | ACHECYP2C9VKORC1NQO1 | |
| SCHEMBL7406127 | 0.77 | MAPT (0.31) | — | |
| SCHEMBL7406916 | 0.75 | MGAM (0.31) | — | |
| SCHEMBL7354182 | 0.72 | NQO1 (0.42) | NQO1 |
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 4 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 |
| US-5852195-A | Pyranone compounds useful to treat retroviral infections | PHARMACIA & UPJOHN COMPANY (US) | 1998-12-22 | — | — | US | disclosed |
| EP-0758327-A1 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1997-02-19 | — | — | EP | disclosed |
| WO-1995030670-A2 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-16 | — | — | WO | disclosed |