Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | NQO1 | P15559 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7476525 | 0.95 | CYP2C9 (0.51) | CYP2C9ESR1ESR2NQO1ALDH1A1 | |
| SCHEMBL7477110 | 0.95 | ESR1 (0.51) | CYP2C9ESR1ESR2NQO1ALDH1A1 | |
| SCHEMBL6175609 | 0.94 | CYP2C9 (0.54) | CYP2C9NQO1ALDH1A1KDM4EALB | |
| SCHEMBL6174948 | 0.94 | CYP2C9 (0.54) | CYP2C9NQO1ALDH1A1KDM4EALB | |
| SCHEMBL6175124 | 0.94 | CYP2C9 (0.54) | CYP2C9NQO1ALDH1A1KDM4EALB | |
| SCHEMBL6173602 | 0.94 | CYP2C9 (0.54) | CYP2C9NQO1ALDH1A1KDM4EALB | |
| SCHEMBL6174912 | 0.94 | CYP2C9 (0.54) | CYP2C9NQO1ALDH1A1KDM4EALB | |
| SCHEMBL6173543 | 0.90 | CYP2C9 (0.55) | CYP2C9NQO1ALDH1A1KDM4EALB | |
| SCHEMBL9280175 | 0.90 | CYP2C9 (0.43) | CYP2C9ESR1ESR2VKORC1 | |
| SCHEMBL7545250 | 0.89 | CYP2C9 (0.43) | CYP2C9ESR1ESR2ALDH1A1KDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0668860-B1 | PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | UPJOHN CO (US) | 2002-09-11 | — | — | EP | claimed |
| EP-0668860-A1 | PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | PHARMACIA & UPJOHN COMPANY (US) | 1995-08-30 | — | — | EP | claimed |
| WO-1994011361-A1 | PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | THE UPJOHN COMPANY (US) | 1994-05-26 | — | — | WO | claimed |
| EP-1203770-A1 | Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases | PHARMACIA & UPJOHN COMPANY (US) | 2002-05-08 | — | — | EP | disclosed |
| EP-0668860-A1 | PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | PHARMACIA & UPJOHN COMPANY (US) | 1995-08-30 | — | — | EP | disclosed |
| WO-1994011361-A1 | PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | THE UPJOHN COMPANY (US) | 1994-05-26 | — | — | WO | disclosed |