Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | CDC25A | P30304 | 6/20 | 0.39 |
| ▸ | CDC25B | P30305 | 6/20 | 0.39 |
| ▸ | CDC25C | P30307 | 5/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.38 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 9/20 | 0.36 |
| ▸ | MPEG1 | Q2M385 | 7/20 | 0.36 |
| ▸ | XIAP | P98170 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL9264130 | 1.00 | ACHE (0.40) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL11156027 | 0.98 | ACHE (0.37) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL11157415 | 0.93 | CTRC (0.33) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL2315804 | 0.76 | ACHE (0.37) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL3021386 | 0.76 | ACHE (0.37) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL4629705 | 0.76 | ACHE (0.37) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL704205 | 0.74 | ACHE (0.34) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL28600201 | 0.72 | CDC25A (0.34) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL7054062 | 0.71 | CYP1A2 (0.34) | ACHEBACE1CDC25ACDC25BCDC25C | |
| SCHEMBL14751591 | 0.70 | GPR84 (0.37) | ACHEBACE1CDC25ACDC25BCDC25C |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0443449-B1 | Process for the preparation of oxetanones | HOFFMANN LA ROCHE (CH) | 1997-05-21 | — | — | EP | claimed |
| US-5399720-A | Production of oxetanones | HOFFMANN-LA ROCHE INC. (US) | 1995-03-21 | — | — | US | claimed |
| US-5420305-A | Process for the preparation of (R)-3-hexyl-5,6-dihydro-4-hydroxy-6-undecyl-2H-pyran-2-one and (R)-5,6-dihydro-6-undecyl-2H-pyran-2,4 (3H)-dione | HOFFMANN-LA ROCHE INC. (US) | 1995-05-30 | — | — | US | disclosed |
| US-5420305-A | Process for the preparation of (R)-3-hexyl-5,6-dihydro-4-hydroxy-6-undecyl-2H-pyran-2-one and (R)-5,6-dihydro-6-undecyl-2H-pyran-2,4 (3H)-dione | HOFFMANN-LA ROCHE INC. (US) | 1995-05-30 | — | — | US | disclosed |
| US-5412110-A | Enzymatic process to separate racemic mixtures of delta valerolactones | CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) | 1995-05-02 | — | — | US | disclosed |
| US-5399720-A | Production of oxetanones | HOFFMANN-LA ROCHE INC. (US) | 1995-03-21 | — | — | US | disclosed |
| US-5274143-A | Process for the preparation of (R)-3-hexyl-5,6-dihydro-4-hydroxy-6-undecyl-2H-pyran-2-one and (R)-5,6-dihydro-6-undecyl-2H-pyran-2,4(3H)-dione | HOFFMANN-LA ROCHE INC. (US) | 1993-12-28 | — | — | US | disclosed |
| US-5274143-A | Process for the preparation of (R)-3-hexyl-5,6-dihydro-4-hydroxy-6-undecyl-2H-pyran-2-one and (R)-5,6-dihydro-6-undecyl-2H-pyran-2,4(3H)-dione | HOFFMANN-LA ROCHE INC. (US) | 1993-12-28 | — | — | US | disclosed |
| US-5245056-A | PRODUCTION OF OXETANONES | HOFFMANN-LA ROCHE INC. (US) | 1993-09-14 | — | — | US | disclosed |