Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.57 |
| ▸ | GRIA2 | P42262 | 7/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10479481 | 0.97 | PTGS2 (0.57) | PTGS2PTGS1GRIA2CYP1A2CYP2C9 | |
| SCHEMBL14662754 | 0.86 | PTGS2 (0.60) | PTGS2PTGS1GRIA2CYP1A2CYP2C9 | |
| SCHEMBL10479738 | 0.85 | GRIA2 (0.46) | PTGS2PTGS1GRIA2CYP1A2CYP2C9 | |
| SCHEMBL5811399 | 0.85 | CNR1 (0.65) | PTGS2CNR1CNR2 | |
| SCHEMBL20604173 | 0.83 | PTGS2 (0.60) | PTGS2PTGS1GRIA2CYP1A2CYP2C9 | |
| SCHEMBL10479480 | 0.82 | GRIA2 (0.46) | PTGS2PTGS1GRIA2CYP1A2CYP2C9 | |
| SCHEMBL10479406 | 0.82 | PTGS2 (0.58) | PTGS2PTGS1GRIA2CYP1A2CYP2C9 | |
| SCHEMBL10479633 | 0.81 | KDM4E (0.49) | PTGS2PTGS1GRIA2CYP1A2CYP2C9 | |
| SCHEMBL5810803 | 0.81 | OPRM1 (0.52) | CNR1CNR2 | |
| SCHEMBL4219942 | 0.81 | PTGS2 (0.60) | PTGS2PTGS1GRIA2CYP1A2CYP2C9 |
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-2006030124-A1 | CONDENSED PYRAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME | SANOFI-AVENTIS (FR) | 2006-03-23 | — | — | WO | disclosed |
| US-4851425-A | Cyclopentapyrazole and tetrahydroindazole compounds and their use as anti-inflammatory and anti-allergic agents | THE UPJOHN COMPANY (US) | 1989-07-25 | — | — | US | disclosed |
| WO-1986007357-A3 | CYCLOPENTAPYRAZOLE AND TETRAHYDROINDAZOLE COMPOUNDS | THE UPJOHN COMPANY (US) | 1987-04-23 | — | — | WO | disclosed |