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 SCHEMBL18205062 | 0.96 | CXCR1 (0.70) | CXCR1CXCR2PTGS1PTGS2LMNA | |
| Ibuprofen SCHEMBL1068566 | 0.96 | CXCR1 (0.70) | CXCR1CXCR2PTGS1PTGS2LMNA | |
| Ibuprofen SCHEMBL1179006 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8648064-B2 | Metal complexes of N-heterocyclic carbenes | THE UNIVERSITY OF AKRON (US) | 2014-02-11 | — | — | US | disclosed |
| US-8648205-B2 | Metal complexes of N-heterocyclic carbenes | THE UNIVERSITY OF AKRON (US) | 2014-02-11 | — | — | US | disclosed |
| CN-103327816-A | Metal complexes of N-heterocyclic carbenes | UNIV AKRON | 2013-09-25 | — | — | CN | disclosed |
| EP-2627182-A1 | METAL COMPLEXES OF N-HETEROCYCLIC CARBENES | The University of Akron (US) | 2013-08-21 | — | — | EP | disclosed |
| CN-102781946-A | Metal complexes of n-heterocyclic carbenes | UNIV AKRON | 2012-11-14 | — | — | CN | disclosed |
| EP-2488534-A1 | METAL COMPLEXES OF N-HETEROCYCLIC CARBENES | The University of Akron (US) | 2012-08-22 | — | — | EP | disclosed |
| WO-2012050629-A1 | METAL COMPLEXES OF N-HETEROCYCLIC CARBENES | THE UNIVERSITY OF AKRON (US) | 2012-04-19 | — | — | WO | disclosed |
| WO-2011046942-A1 | METAL COMPLEXES OF N-HETEROCYCLIC CARBENES | THE UNIVERSITY OF AKRON (US) | 2011-04-21 | — | — | WO | disclosed |
| US-20110086830-A1 | METAL COMPLEXES OF N-HETEROCYCLIC CARBENES | THE UNIVERSITY OF AKRON (US) | 2011-04-14 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110086830-A1 | METAL COMPLEXES OF N-HETEROCYCLIC CARBENES | NOD2, ARNT, FPR1 | PTGS1 50/4885PTGS2 133/4885CXCR1 407/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.