Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VKORC1 | Q9BQB6 | 3/20 | 0.76 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | NQO1 | P15559 | 7/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8934490 | 0.88 | VKORC1 (0.68) | VKORC1MAOBNQO1ALDH1A1POLB | |
| SCHEMBL7352875 | 0.87 | VKORC1 (0.58) | VKORC1NQO1ALDH1A1KDM4ETP53 | |
| SCHEMBL8808518 | 0.86 | NQO1 (0.61) | VKORC1NQO1ALDH1A1KDM4ETP53 | |
| SCHEMBL9210274 | 0.86 | NQO1 (0.67) | VKORC1MAOBNQO1ALDH1A1MAPT | |
| SCHEMBL8808578 | 0.86 | NQO1 (0.67) | VKORC1MAOBNQO1MAPT | |
| SCHEMBL5072364 | 0.86 | NQO1 (0.71) | VKORC1NQO1ALDH1A1KDM4ETP53 | |
| SCHEMBL8807268 | 0.85 | NQO1 (0.60) | VKORC1MAOBNQO1ALDH1A1KDM4E | |
| SCHEMBL9210044 | 0.84 | NQO1 (0.58) | VKORC1NQO1ALDH1A1KDM4ETP53 | |
| SCHEMBL7406237 | 0.84 | NQO1 (0.58) | VKORC1NQO1ALDH1A1TP53MEN1 | |
| SCHEMBL8806732 | 0.83 | NQO1 (0.71) | VKORC1NQO1ALDH1A1KDM4ETP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0682663-A1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-22 | — | — | EP | disclosed |