Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.74 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.73 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.73 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.73 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.73 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.73 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.73 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.73 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.73 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.73 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.73 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.73 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.73 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.73 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.73 |
| ▸ | PTGES | O14684 | 1/20 | 0.73 |
| ▸ | CA12 | O43570 | 1/20 | 0.73 |
| ▸ | PDE5A | O76074 | 1/20 | 0.73 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.73 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL5420747 | 1.00 | PTGS2 (0.74) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL14958860 | 0.99 | PDPK1 (0.73) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL8266070 | 0.93 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| Celecoxib SCHEMBL4905042 | 0.91 | PTGS2 (0.91) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL4587051 | 0.87 | PTGS2 (0.73) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL18448102 | 0.87 | PTGS2 (0.72) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL8265772 | 0.87 | PTGS2 (0.73) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL14747582 | 0.86 | PTGS2 (0.67) | PTGS2PTGS1CYP2C9PDPK1HDAC3 | |
| SCHEMBL12213580 | 0.86 | PDPK1 (0.73) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL8292452 | 0.86 | PTGS2 (0.86) | PTGS2PTGS1CYP2C9PDPK1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE44048-E1 | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-YL]benzenesulfonamide for the treatment of inflammation or an inflammation-associated disorder | G.D. SEARLE LLC (US) | 2013-03-05 | — | — | US | disclosed |