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 | 0.71 |
| ▸ | PTGS1 known ✓ | P23219 | 5/20 | 0.71 |
| ▸ | CXCR1 | P25024 | 4/20 | 0.71 |
| ▸ | CXCR2 | P25025 | 4/20 | 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 SCHEMBL9310520 | 1.00 | PTGS2 (0.71) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Anthraquinone SCHEMBL2201839 | 0.96 | PTGS2 (0.78) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Dexibuprofen SCHEMBL30091137 | 0.84 | PTGS1 (1.00) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL239446 | 0.84 | PTGS1 (1.00) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| (R)-Ibuprophen SCHEMBL29057 | 0.84 | PTGS1 (1.00) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL19439560 | 0.84 | PTGS1 (1.00) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL3001 | 0.84 | PTGS1 (1.00) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL19439559 | 0.84 | PTGS1 (1.00) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Ibuprofen SCHEMBL8754799 | 0.84 | PTGS1 (1.00) | PTGS2PTGS1CXCR1CXCR2LMNA | |
| Dexibuprofen SCHEMBL43531 | 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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5316768-A | Anthraquinone or anthrone compounds | MURDOCK INTERNATIONAL CORPORATION (US) | 1994-05-31 | — | — | US | claimed |
| US-20230233514-A1 | ANTIVIRAL COMPOUNDS AND METHODS OF USING THE SAME | FLAGSHIP PIONEERING, INC. | 2023-07-27 | — | — | US | disclosed |
| EP-4167984-A1 | ANTI-VIRAL COMPOUNDS AND METHODS OF USING SAME | Flagship Pioneering, Inc. (US) | 2023-04-26 | — | — | EP | disclosed |
| WO-2021262799-A1 | ANTI-VIRAL COMPOUNDS AND METHODS OF USING SAME | FLAGSHIP PIONEERING, INC. (US) | 2021-12-30 | — | — | WO | disclosed |
| EP-3328498-B1 | MEDICAL KIT COMPRISING HERBAL COMBINATIONS FOR TREATING PSORIASIS | SIRBAL LTD (CY) | 2021-05-05 | — | — | EP | disclosed |
| US-10780141-B2 | Herbal combinations for treating eczema | SIRBAL LTD. (CY) | 2020-09-22 | — | — | US | disclosed |
| EP-3498288-A1 | HERBAL COMBINATIONS FOR TREATMENT OF A SKIN CONDITION | Sirbal Ltd. (CY) | 2019-06-19 | — | — | EP | disclosed |
| EP-3076984-B1 | HERBAL COMBINATIONS FOR TREATMENT OF A SKIN CONDITION | SIRBAL LTD (CY) | 2018-11-14 | — | — | EP | disclosed |
| EP-3328498-A1 | HERBAL COMBINATIONS FOR TREATING PSORIASIS | Sirbal Ltd. (CY) | 2018-06-06 | — | — | EP | disclosed |
| US-20170326191-A1 | Molecular and Herbal Combinations for Treating Psoriasis | SIRBAL LTD (CY) | 2017-11-16 | — | — | US | disclosed |
| US-5316768-A | Anthraquinone or anthrone compounds | MURDOCK INTERNATIONAL CORPORATION (US) | 1994-05-31 | — | — | US | disclosed |
| EP-0409957-A4 | BIOLOGICAL FLUIDS PURIFICATION SYSTEMS | — | 1993-01-07 | — | — | EP | disclosed |
| US-5149718-A | BIOLOGICAL FLUID PURIFICATION SYSTEM | NEW YORK UNIVERSITY (US) | 1992-09-22 | — | — | US | disclosed |
| US-5120412-A | PREPARATION OF HYPERICIN | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 1992-06-09 | — | — | US | disclosed |
| EP-0426785-A4 | COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS | — | 1991-11-13 | — | — | EP | disclosed |
| EP-0432496-A2 | Preparation of hypericin | YEDA RESEARCH AND DEVELOPMENT COMPANY LIMITED (IL) | 1991-06-19 | — | — | EP | disclosed |
| EP-0426785-A1 | COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS | NEW YORK UNIVERSITY (US) | 1991-05-15 | — | — | EP | disclosed |
| EP-0409957-A1 | BIOLOGICAL FLUIDS PURIFICATION SYSTEMS | NEW YORK UNIVERSITY (US) | 1991-01-30 | — | — | EP | disclosed |
| WO-1990010438-A1 | COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS | NEW YORK UNIVERSITY (US) | 1990-09-20 | — | — | WO | disclosed |
| WO-1990007876-A1 | BIOLOGICAL FLUIDS PURIFICATION SYSTEMS | NEW YORK UNIVERSITY (US) | 1990-07-26 | — | — | WO | 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-20230233514-A1 | ANTIVIRAL COMPOUNDS AND METHODS OF USING THE SAME | ACE2, ACE, EIF2AK2 | PTGS2 1119/4885PTGS1 1951/4885CXCR1 3010/4885 |
“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.