Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | MAPT | P10636 | 6/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | FPR1 | P21462 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7548288 | 0.92 | ALDH1A1 (0.34) | NQO1ALDH1A1MAPTNPSR1HTT | |
| SCHEMBL7440515 | 0.86 | NQO1 (0.40) | NQO1MAPTNPSR1LMNACYP2C9 | |
| SCHEMBL7483351 | 0.86 | ALDH1A1 (0.34) | NQO1ALDH1A1MAPTNPSR1HTT | |
| SCHEMBL7441428 | 0.86 | MAPT (0.35) | NQO1ALDH1A1MAPTNPSR1HTT | |
| SCHEMBL7441300 | 0.85 | NQO1 (0.41) | NQO1ALDH1A1MAPTLMNATSHR | |
| SCHEMBL7438798 | 0.85 | MAPT (0.34) | ALDH1A1MAPTHTTLMNAHPGD | |
| SCHEMBL7437926 | 0.84 | ESR1 (0.39) | NQO1ALDH1A1MAPTHPGDCYP2C9 | |
| SCHEMBL7440443 | 0.83 | NQO1 (0.36) | NQO1ALDH1A1MAPTHPGDCYP2C9 | |
| SCHEMBL7443023 | 0.83 | NQO1 (0.37) | NQO1ALDH1A1MAPTLMNAHPGD | |
| SCHEMBL7447834 | 0.83 | NQO1 (0.37) | NQO1ALDH1A1MAPTHTTLMNA |
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 3 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 |
| 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 |