Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.54 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8103928 | 0.97 | PTGS2 (0.54) | PTGS2SETD7LMNACHRM2CYP2D6 | |
| SCHEMBL5698447 | 0.85 | PTGS2 (0.59) | PTGS2ESR2 | |
| SCHEMBL22773331 | 0.82 | SETD7 (0.50) | PTGS2SETD7LMNA | |
| SCHEMBL8397422 | 0.82 | PTGS2 (0.55) | PTGS2ESR2 | |
| SCHEMBL8112035 | 0.81 | PTGS2 (0.49) | PTGS2 | |
| SCHEMBL8112034 | 0.81 | PTGS2 (0.49) | PTGS2 | |
| SCHEMBL22491507 | 0.75 | GPR119 (0.53) | — | |
| SCHEMBL8394302 | 0.75 | ALDH1A1 (0.42) | PTGS2CHRM2CHRM1 | |
| SCHEMBL6583952 | 0.74 | PTGS2 (0.65) | PTGS2 | |
| SCHEMBL10226596 | 0.74 | PTGS2 (0.65) | PTGS2 |
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-0971910-A1 | ALPHA-METHYLENE GAMMA LACTONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2000-01-19 | — | — | EP | claimed |
| WO-1998043966-A1 | ALPHA-METHYLENE GAMMA LACTONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 1998-10-08 | — | — | WO | claimed |
| EP-0971910-A1 | ALPHA-METHYLENE GAMMA LACTONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998043966-A1 | ALPHA-METHYLENE GAMMA LACTONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 1998-10-08 | — | — | WO | disclosed |