Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.55 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | CCR8 | P51685 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8973819 | 0.92 | PTGS2 (0.46) | PTGS2PTGS1 | |
| SCHEMBL8974823 | 0.88 | PTGS2 (0.56) | PTGS2CCR1CCR5CCR8HDAC6 | |
| SCHEMBL8974116 | 0.85 | PTGS2 (0.44) | PTGS2GPR119PTGS1 | |
| SCHEMBL8974412 | 0.85 | PTGS2 (0.48) | PTGS2GPR119PTGS1 | |
| SCHEMBL8974890 | 0.83 | PTGS2 (0.59) | PTGS2PTGS1 | |
| SCHEMBL8973778 | 0.82 | PTGS2 (0.48) | PTGS2PTGS1 | |
| SCHEMBL8974679 | 0.82 | PTGS2 (0.47) | PTGS2PTGS1 | |
| SCHEMBL8974187 | 0.82 | PTGS2 (0.44) | PTGS2PTGS1 | |
| SCHEMBL8974156 | 0.82 | PTGS2 (0.41) | PTGS2PTGS1 | |
| SCHEMBL8974111 | 0.82 | PTGS2 (0.48) | PTGS2GPR119PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995030656-A1 | SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | claimed |
| US-5576339-A | Pyridyl substituted cyclopentadienes for the treatment of inflamation | HUANG HORNG-CHIH (US) | 1996-11-19 | — | — | US | disclosed |
| US-5418254-A | Side effect reduction | G. D. SEARLE & CO. (US) | 1995-05-23 | — | — | US | disclosed |