Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ibuprofen. 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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 3/20 | 0.44 |
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | NPY4R | P50391 | 9/20 | 0.46 |
| ▸ | NPY1R | P25929 | 6/20 | 0.46 |
| ▸ | NPY2R | P49146 | 4/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Ibuprofen SCHEMBL43029 | 0.86 | PTGS1 (0.57) | EPHX1NPY4RNPY1RNPY2RNPY5R | |
| Ibuprofen SCHEMBL43030 | 0.86 | PTGS1 (0.57) | EPHX1NPY4RNPY1RNPY2RNPY5R | |
| Arginine SCHEMBL27553739 | 0.77 | DPP7 (0.39) | NPY4RNPY1RNPY2RNPY5R | |
| Arginine SCHEMBL93594 | 0.77 | DPP7 (0.39) | NPY4RNPY1RNPY2RNPY5R | |
| Hydrochloric Acid SCHEMBL17889132 | 0.77 | APP (0.61) | EPHX1CXCR1CXCR2TRPV1CA12 | |
| SCHEMBL13928680 | 0.77 | NPY4R (0.54) | NPY4RNPY1RNPY2RNPY5RTRPV1 | |
| Arginine SCHEMBL4328442 | 0.76 | OTC (0.39) | NPY4RNPY1RNPY2RNPY5R | |
| Arginine SCHEMBL6034086 | 0.76 | DPP7 (0.38) | NPY4RNPY1RNPY2RNPY5R | |
| Arginine SCHEMBL4273378 | 0.76 | DPP7 (0.40) | NPY4RNPY1RNPY2RNPY5R | |
| Arginine SCHEMBL4250937 | 0.75 | GAA (0.39) | NPY4RNPY1RNPY2RNPY5RTRPV1 |
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-1100470-B1 | FAST DISSOLVING IBUPROFEN CONTAINING COMPOSITIONS HAVING ANALGESIC ACTIVITY | ZAMBON SPA (IT) | 2003-03-19 | — | — | EP | disclosed |
| EP-1100470-A1 | FAST DISSOLVING IBUPROFEN CONTAINING COMPOSITIONS HAVING ANALGESIC ACTIVITY | ZAMBON GROUP S.p.A. (IT) | 2001-05-23 | — | — | EP | disclosed |
| US-6197336-B1 | IBUPROFEN WITH ARGININE AND POLYVINYLPYRROLIDONE | ZAMBON GROUP S.P.A. (IT) | 2001-03-06 | — | — | US | disclosed |
| WO-2000006125-A1 | FAST DISSOLVING IBUPROFEN CONTAINING COMPOSITIONS HAVING ANALGESIC ACTIVITY | ZAMBON GROUP S.P.A. (IT) | 2000-02-10 | — | — | WO | disclosed |