Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.58 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.46 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | FAAH | O00519 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9070555 | 1.00 | GPR84 (0.58) | GPR84ZDHHC2FFAR4FFAR1FAAH | |
| SCHEMBL27569343 | 0.94 | GPR84 (0.49) | GPR84ZDHHC2FAAHCNR2 | |
| SCHEMBL27899878 | 0.88 | ELANE (0.45) | GPR84ALDH1A1 | |
| SCHEMBL27531848 | 0.87 | GPR84 (0.43) | GPR84ZDHHC2FAAHCNR2 | |
| SCHEMBL7910378 | 0.87 | FFAR4 (0.55) | GPR84FFAR4FFAR1FAAHALDH1A1 | |
| SCHEMBL10338661 | 0.87 | FFAR4 (0.55) | GPR84FFAR4FFAR1FAAHALDH1A1 | |
| SCHEMBL27769235 | 0.87 | FFAR4 (0.51) | GPR84ZDHHC2FFAR4FFAR1FAAH | |
| SCHEMBL5075409 | 0.87 | ZDHHC2 (0.50) | GPR84ZDHHC2FAAHALDH1A1CNR2 | |
| SCHEMBL5079134 | 0.87 | ZDHHC2 (0.50) | GPR84ZDHHC2FAAHALDH1A1CNR2 | |
| SCHEMBL5075436 | 0.87 | ZDHHC2 (0.50) | GPR84ZDHHC2FAAHALDH1A1CNR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0524495-B1 | Process for the preparation of pyranones and pyrandiones | HOFFMANN LA ROCHE (CH) | 1996-10-09 | — | — | EP | 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-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 |
| EP-0524495-A1 | Process for the preparation of pyranones and pyrandiones | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1993-01-27 | — | — | EP | disclosed |