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 | 6/20 | 0.71 |
| ▸ | PTGS1 known ✓ | P23219 | 5/20 | 0.71 |
| ▸ | CXCR1 | P25024 | 3/20 | 0.71 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.71 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.71 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.71 |
| ▸ | ALB | P02768 | 1/20 | 0.71 |
| ▸ | ESR1 | P03372 | 1/20 | 0.71 |
| ▸ | RARB | P10826 | 1/20 | 0.71 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.71 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.71 |
| ▸ | HTR2A | P28223 | 1/20 | 0.71 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.71 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.71 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.71 |
| ▸ | BLM | P54132 | 1/20 | 0.71 |
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 SCHEMBL4745124 | 0.88 | PTGS1 (0.86) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| SCHEMBL27703432 | 0.88 | PTGS2 (0.62) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Hydrochloric Acid SCHEMBL11103972 | 0.86 | PTGS2 (0.61) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Dexibuprofen SCHEMBL8853395 | 0.85 | PTGS1 (0.81) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Dexibuprofen SCHEMBL30091137 | 0.84 | PTGS1 (1.00) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL3001 | 0.84 | PTGS1 (1.00) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL19439560 | 0.84 | PTGS1 (1.00) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Dexibuprofen SCHEMBL43531 | 0.84 | PTGS1 (1.00) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL8754799 | 0.84 | PTGS1 (1.00) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL239446 | 0.84 | PTGS1 (1.00) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112500283-B | Crystallization process of dexibuprofen | 湖南华纳大药厂手性药物有限公司 | 2022-11-08 | — | — | CN | disclosed |
| CN-112500283-A | Crystallization process of dexibuprofen | 湖南华纳大药厂手性药物有限公司 | 2021-03-16 | — | — | CN | disclosed |