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 | 0.70 |
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.70 |
| ▸ | CXCR1 | P25024 | 5/20 | 0.70 |
| ▸ | CXCR2 | P25025 | 5/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.70 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.70 |
| ▸ | ALB | P02768 | 1/20 | 0.70 |
| ▸ | ESR1 | P03372 | 1/20 | 0.70 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.70 |
| ▸ | RARB | P10826 | 1/20 | 0.70 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.70 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.70 |
| ▸ | HTR2A | P28223 | 1/20 | 0.70 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.70 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.70 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.70 |
| ▸ | BLM | P54132 | 1/20 | 0.70 |
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 SCHEMBL1068566 | 0.96 | CXCR1 (0.70) | CXCR1CXCR2PTGS1PTGS2LMNA | |
| Ibuprofen SCHEMBL1586498 | 0.96 | CXCR1 (0.70) | CXCR1CXCR2PTGS1PTGS2LMNA | |
| Ibuprofen SCHEMBL18205062 | 0.96 | CXCR1 (0.70) | CXCR1CXCR2PTGS1PTGS2LMNA | |
| Ibuprofen SCHEMBL8076351 | 0.96 | CXCR1 (0.70) | CXCR1CXCR2PTGS1PTGS2LMNA | |
| Ibuprofen SCHEMBL139269 | 0.96 | CXCR1 (0.70) | CXCR1CXCR2PTGS1PTGS2LMNA | |
| Ibuprofen SCHEMBL5971384 | 0.96 | CXCR1 (0.70) | CXCR1CXCR2PTGS1PTGS2LMNA | |
| Ibuprofen SCHEMBL30222251 | 0.96 | CXCR1 (0.70) | CXCR1CXCR2PTGS1PTGS2LMNA | |
| Ibuprofen SCHEMBL9321827 | 0.96 | CXCR1 (0.70) | CXCR1CXCR2PTGS1PTGS2LMNA | |
| Ibuprofen SCHEMBL465258 | 0.96 | CXCR1 (0.70) | CXCR1CXCR2PTGS1PTGS2LMNA | |
| Ibuprofen SCHEMBL42909 | 0.96 | CXCR1 (0.70) | CXCR1CXCR2PTGS1PTGS2LMNA |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2995312-A1 | ANTI-INFLAMMATORY COMPOSITION BASED ON STRONTIUM COMPOUNDS | SantoSolve AS (NO) | 2016-03-16 | — | — | EP | disclosed |
| US-20150265649-A1 | STRONTIUM COMPOUND FOR TREATMENT OF SUB-DERMAL SOFT TISSUE PAIN | SANTOSOLVE AS (NO) | 2015-09-24 | — | — | US | disclosed |
| EP-1605955-B1 | Anti-inflammatory composition based on strontium compounds | SANTOSOLVE AS (NO) | 2015-08-19 | — | — | EP | disclosed |
| US-9050312-B2 | Strontium compound for treatment of sub-dermal soft tissue pain | SANTOSOLVE AS (NO) | 2015-06-09 | — | — | US | disclosed |
| US-20110038953-A1 | STRONTIUM COMPOUND FOR TREATMENT OF SUB-DERMAL SOFT TISSUE PAIN | SANTOSOLVE AS (NO) | 2011-02-17 | — | — | US | disclosed |
| CN-100415247-C | Strontium compounds for the treatment of subcutaneous soft tissue pain | SANTOSOLVE AS (NO) | 2008-09-03 | — | — | CN | disclosed |
| EP-1429792-B1 | STRONTIUM COMPOUND FOR TREATMENT OF SUB-DERMAL SOFT TISSUE PAIN | SANTOSOLVE AS (NO) | 2008-03-19 | — | — | EP | disclosed |
| US-20070237836-A1 | Strontium compound for treatment of sub-dermal soft tissue pain | SANTOSOLVE AS | 2007-10-11 | — | — | US | disclosed |
| US-7241460-B2 | Strontium compound for treatment of sub-dermal soft tissue pain | SANTOSOLVE AS (NO) | 2007-07-10 | — | — | US | disclosed |
| CN-1981780-A | Strontium compound for treatment of sub-dermal soft tissue pain | SANTOSOLVE AS (NO) | 2007-06-20 | — | — | CN | disclosed |
| US-20070053994-A1 | Anti-inflammatory treatment | SANA PHARMA MEDICAL AS (NO) | 2007-03-08 | — | — | US | disclosed |
| EP-1741436-A1 | Strontium compound for treatment of sub-dermal soft tissue pain | Santosolve AS (NO) | 2007-01-10 | — | — | EP | disclosed |
| EP-1605955-A2 | ANTI-INFLAMMATORY COMPOSITION BASED ON STRONTIUM COMPOUNDS | Santosolve AS (NO) | 2005-12-21 | — | — | EP | disclosed |
| CN-1585646-A | Strontium compounds for the treatment of subcutaneous soft tissue pain | SANTOSOLVE AS (NO) | 2005-02-23 | — | — | CN | disclosed |
| US-20050013877-A1 | Strontium compound for treatment of sub-dermal soft tissue pain | SANA PHARMA MEDICAL AS (NO) | 2005-01-20 | — | — | US | disclosed |
| WO-2004084920-A2 | ANTI-INFLAMMATORY TREATMENT BASED ON STRONTIUM COMPOUNDS | SANTOSOLVE AS (NO) | 2004-10-07 | — | — | WO | disclosed |
| EP-1429792-A1 | STRONTIUM COMPOUND FOR TREATMENT OF SUB-DERMAL SOFT TISSUE PAIN | Santosolve AS (NO) | 2004-06-23 | — | — | EP | disclosed |
| WO-2003028742-A1 | STRONTIUM COMPOUND FOR TREATMENT OF SUB-DERMAL SOFT TISSUE PAIN | SANTOSOLVE AS (NO) | 2003-04-10 | — | — | WO | disclosed |