Known targets — ChEMBL curated mechanism
APH1AAPH1BNCSTNPSEN1PSEN2PSENENPTGS1PTGS2
The experimentally established mechanism targets of Flurbiprofen. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 4/20 | 0.69 |
| ▸ | PTGS1 known ✓ | P23219 | 3/20 | 0.69 |
| ▸ | PSEN1 known ✓ | P49768 | 2/20 | 0.69 |
| ▸ | PSEN2 known ✓ | P49810 | 2/20 | 0.69 |
| ▸ | APH1B known ✓ | Q8WW43 | 2/20 | 0.69 |
| ▸ | NCSTN known ✓ | Q92542 | 2/20 | 0.69 |
| ▸ | APH1A known ✓ | Q96BI3 | 2/20 | 0.69 |
| ▸ | PSENEN known ✓ | Q9NZ42 | 2/20 | 0.69 |
| ▸ | AKR1C3 | P42330 | 10/20 | 0.69 |
| ▸ | AKR1C2 | P52895 | 10/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.69 |
| ▸ | MEN1 | O00255 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.69 |
| ▸ | FABP2 | P12104 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.69 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.69 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.69 |
| ▸ | HTR2C | P28335 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL6186026 | 0.83 | PTGS2 (0.52) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| Tarenflurbil SCHEMBL29350102 | 0.82 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| Esflurbiprofen SCHEMBL505817 | 0.82 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| Flurbiprofen SCHEMBL1070292 | 0.82 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| Tarenflurbil SCHEMBL26131 | 0.82 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| Flurbiprofen SCHEMBL10029029 | 0.82 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| Flurbiprofen SCHEMBL8755275 | 0.82 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| Flurbiprofen SCHEMBL8754830 | 0.82 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| Flurbiprofen SCHEMBL8754978 | 0.82 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 | |
| Flurbiprofen SCHEMBL2248 | 0.82 | AKR1C3 (1.00) | AKR1C3AKR1C2PTGS2PTGS1CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0979226-B1 | ISOXAZOLE DERIVATIVES | SUMITOMO PHARMA (JP) | 2005-11-09 | — | — | EP | disclosed |
| US-6100260-A | ((3-(1-(2-FLUORO-BIPHENYL-4-YL)-ETHYL)-ISOXAZOL-5-YLIMINO) -MORPHOLIN-4-YL-M ETHYL)-AMINE, FOR EXAMPLE; ADMINISTERING TO TREAT AUTOIMMUNE DISEASES AND INFLAMMATION | SUMITOMO PHARMACEUTICAL COMPANY, LIMITED (JP) | 2000-08-08 | — | — | US | disclosed |