Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALB | P02768 | 2/20 | 0.50 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.50 |
| ▸ | PCSK7 | Q16549 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | NQO1 | P15559 | 3/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3778823 | 0.84 | ALDH1A1 (0.51) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL15514111 | 0.84 | ALDH1A1 (0.51) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL1649890 | 0.82 | NQO1 (0.50) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL5103338 | 0.81 | NQO1 (0.52) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL3048772 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL6890789 | 0.79 | CYP2C9 (0.52) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL2358729 | 0.78 | LMNA (0.48) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL7354341 | 0.76 | KDM4E (0.55) | ALDH1A1CYP2C9KDM4EALBVKORC1 | |
| SCHEMBL9286035 | 0.76 | NQO1 (0.53) | ALDH1A1CYP2C9KDM4EVKORC1PCSK7 | |
| SCHEMBL12091846 | 0.73 | CA12 (0.49) | ALDH1A1CYP2C9KDM4EALBVKORC1 |
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-0682663-B1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | UPJOHN CO (US) | 2001-04-18 | — | — | EP | disclosed |
| 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 |
| US-5686486-A | 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections | PHARMACIA & UPJOHN COMPANY (US) | 1997-11-11 | — | — | US | disclosed |
| EP-0758327-A1 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1997-02-19 | — | — | EP | disclosed |
| 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 |
| WO-1995030670-A2 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-16 | — | — | WO | disclosed |
| WO-1994018188-A1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | THE UPJOHN COMPANY (US) | 1994-08-18 | — | — | WO | disclosed |