Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.55 |
| ▸ | PTGES | O14684 | 2/20 | 0.53 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8637392 | 0.90 | PTGS2 (0.68) | PTGS2PTGS1PTGESPDPK1HDAC3 | |
| SCHEMBL8638143 | 0.89 | PTGS2 (0.56) | PTGS2PTGS1PDPK1 | |
| SCHEMBL8644141 | 0.88 | PTGS2 (0.55) | PTGS2PTGS1PTGESPDPK1HDAC3 | |
| SCHEMBL726058 | 0.88 | PTGES (0.68) | PTGS2PTGS1PTGESPDPK1HDAC3 | |
| SCHEMBL8644146 | 0.88 | PTGS2 (0.69) | PTGS2PTGS1PDPK1 | |
| SCHEMBL8641753 | 0.87 | PTGS2 (0.56) | PTGS2PTGS1PDPK1 | |
| SCHEMBL8641090 | 0.87 | PTGS2 (0.56) | PTGS2PTGS1 | |
| SCHEMBL8643953 | 0.85 | PTGS2 (0.56) | PTGS2PTGS1PTGESPDPK1 | |
| SCHEMBL8635957 | 0.85 | PTGS2 (0.54) | PTGS2PTGS1PDPK1 | |
| SCHEMBL6912425 | 0.84 | PTGS2 (0.66) | PTGS2PTGS1PTGESPDPK1HDAC3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5760068-A | NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G.D. SEARLE & CO. (US) | 1998-06-02 | — | — | US | disclosed |
| US-5756529-A | ANTIINFLAMMATORY | G.D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |
| US-5753688-A | ANTIINFLAMMATORY | TALLEY JOHN J (US) | 1998-05-19 | — | — | US | disclosed |
| US-5510496-A | ANTIINFLAMMATORY AGENTS | G.D. SEARLE & CO. (US) | 1996-04-23 | — | — | US | disclosed |
| US-5504215-A | Substituted pyrazolyl benzenesulfonamide compounds for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1996-04-02 | — | — | US | disclosed |