Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 10/20 | 0.94 |
| ▸ | TOP1 | P11387 | 1/20 | 0.85 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.74 |
| ▸ | CRHBP | P24387 | 1/20 | 0.74 |
| ▸ | CASP7 | P55210 | 1/20 | 0.74 |
| ▸ | CASP6 | P55212 | 1/20 | 0.74 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.74 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.74 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.73 |
| ▸ | TOP2A | P11388 | 1/20 | 0.71 |
| ▸ | MEN1 | O00255 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | POLB | P06746 | 1/20 | 0.68 |
| ▸ | MAPT | P10636 | 1/20 | 0.68 |
| ▸ | RECQL | P46063 | 1/20 | 0.68 |
| ▸ | GALK1 | P51570 | 1/20 | 0.68 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL7896856 | 0.97 | NQO1 (1.00) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL4385323 | 0.92 | NQO1 (1.00) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL28156470 | 0.89 | NQO1 (0.75) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL14172083 | 0.88 | NQO1 (1.00) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL28157217 | 0.87 | NQO1 (0.71) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL18126686 | 0.86 | NQO1 (0.78) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL1649097 | 0.86 | NQO1 (1.00) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL12028810 | 0.85 | NQO1 (0.86) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL7355322 | 0.85 | VKORC1 (0.74) | NQO1TOP1CYP2C9CRHBPCASP7 | |
| SCHEMBL4390609 | 0.85 | NQO1 (1.00) | NQO1TOP1CYP2C9CRHBPCASP7 |
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 12 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 |