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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 7/20 | 0.48 |
| ▸ | PTGS1 known ✓ | P23219 | 4/20 | 0.46 |
| ▸ | CXCR1 | P25024 | 4/20 | 0.46 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | RARB | P10826 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL14188621 | 0.83 | PTGS2 (0.48) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Naproxen SCHEMBL7582595 | 0.82 | AKR1C3 (0.50) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| Naproxen SCHEMBL7573450 | 0.82 | AKR1C3 (0.50) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| Flurbiprofen SCHEMBL7581730 | 0.81 | AKR1C3 (0.52) | PTGS2PTGS1LMNACYP2C9AKR1C3 | |
| SCHEMBL5605151 | 0.81 | PTGS2 (0.66) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| SCHEMBL6631370 | 0.81 | PTGS2 (0.44) | PTGS2PTGS1NFKB1BLM | |
| SCHEMBL4957168 | 0.81 | PTGS2 (0.44) | PTGS2PTGS1NFKB1BLM | |
| SCHEMBL5605608 | 0.80 | PTGS2 (0.65) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| SCHEMBL5605936 | 0.78 | PTGS2 (0.66) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| SCHEMBL5494779 | 0.78 | PTGS2 (0.50) | PTGS2PTGS1CXCR1CXCR2LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002092072-A2 | DRUGS FOR THE TREATMENT OF THE ALZHEIMER DISEASE | NICOX S.A. (FR) | 2002-11-21 | — | — | WO | disclosed |