Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7485149 | 0.95 | CYP2C9 (0.48) | ESR1ESR2CYP2C9MAPTALDH1A1 | |
| SCHEMBL7476525 | 0.95 | CYP2C9 (0.51) | ESR1ESR2CYP2C9ALDH1A1NQO1 | |
| SCHEMBL6175124 | 0.89 | CYP2C9 (0.54) | CYP2C9ALDH1A1NQO1 | |
| SCHEMBL6175609 | 0.89 | CYP2C9 (0.54) | CYP2C9ALDH1A1NQO1 | |
| SCHEMBL6174948 | 0.89 | CYP2C9 (0.54) | CYP2C9ALDH1A1NQO1 | |
| SCHEMBL6174912 | 0.89 | CYP2C9 (0.54) | CYP2C9ALDH1A1NQO1 | |
| SCHEMBL6173602 | 0.89 | CYP2C9 (0.54) | CYP2C9ALDH1A1NQO1 | |
| SCHEMBL7545250 | 0.89 | CYP2C9 (0.43) | ESR1ESR2CYP2C9ALDH1A1 | |
| SCHEMBL9280175 | 0.88 | CYP2C9 (0.43) | ESR1ESR2CYP2C9ADRB2LMNA | |
| SCHEMBL6173543 | 0.85 | CYP2C9 (0.55) | CYP2C9ALDH1A1NQO1 |
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 |