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 | 5/20 | 0.83 |
| ▸ | PTGS2 known ✓ | P35354 | 5/20 | 0.83 |
| ▸ | CXCR1 | P25024 | 5/20 | 0.83 |
| ▸ | CXCR2 | P25025 | 5/20 | 0.83 |
| ▸ | LMNA | P02545 | 2/20 | 0.83 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.83 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.83 |
| ▸ | ALB | P02768 | 1/20 | 0.83 |
| ▸ | ESR1 | P03372 | 1/20 | 0.83 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.83 |
| ▸ | RARB | P10826 | 1/20 | 0.83 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.83 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.83 |
| ▸ | HTR2A | P28223 | 1/20 | 0.83 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.83 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.83 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.83 |
| ▸ | TSHR | P16473 | 1/20 | 0.83 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.83 |
| ▸ | BLM | P54132 | 1/20 | 0.83 |
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 SCHEMBL2889299 | 0.91 | PTGS1 (0.93) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Dexibuprofen SCHEMBL43531 | 0.91 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL3001 | 0.91 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| (R)-Ibuprophen SCHEMBL29057 | 0.91 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL239446 | 0.91 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Dexibuprofen SCHEMBL30091137 | 0.91 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL19439559 | 0.91 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL19439560 | 0.91 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL8754799 | 0.91 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL7037276 | 0.91 | PTGS1 (1.00) | PTGS1PTGS2CXCR1CXCR2LMNA |
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-0763005-A4 | TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS | SEPRACOR INC (US) | 1997-10-22 | — | — | EP | disclosed |
| EP-0763005-A1 | TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS | SEPRACOR, INC. (US) | 1997-03-19 | — | — | EP | disclosed |
| US-5495054-A | REDUCING PROCHIRAL KETONES TO ENANTIOMERICALLY PURE ALCOHOLS WITH BORANE REDUCING AGENT | SEPRACOR, INC. (US) | 1996-02-27 | — | — | US | disclosed |
| WO-1995032937-A1 | TETRAHYDROINDENO[1,2-d][1,3,2]OXAZABOROLES AND THEIR USE AS ENANTIOSELECTIVE CATALYSTS | SEPRACOR, INC. (US) | 1995-12-07 | — | — | WO | disclosed |