Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ibufenac. 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 | 0.58 |
| ▸ | PTGS2 known ✓ | P35354 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.58 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.58 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ALB | P02768 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.58 |
| ▸ | RARB | P10826 | 1/20 | 0.58 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 1/20 | 0.58 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.58 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.58 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.58 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Ibufenac SCHEMBL24244 | 0.98 | PTGS1 (0.60) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| Ibufenac SCHEMBL11571262 | 0.96 | PTGS1 (0.58) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| Ibufenac SCHEMBL503595 | 0.96 | PTGS1 (0.58) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL25146345 | 0.92 | PTGS1 (0.62) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| Ibuprofen SCHEMBL8210899 | 0.86 | PTGS1 (0.83) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL28872737 | 0.83 | ANPEP (0.55) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| Ibuprofen SCHEMBL28254474 | 0.83 | PTGS1 (0.78) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| Hydrochloric Acid SCHEMBL6765874 | 0.82 | CA2 (0.75) | PTGS1LMNATSHRNFKB1BLM | |
| Hydrogen Peroxide SCHEMBL9581174 | 0.82 | PTGS1 (0.64) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| Hydrochloric Acid SCHEMBL25180348 | 0.82 | CA2 (0.75) | PTGS1LMNATSHRNFKB1BLM |
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 |
|---|---|---|---|---|---|---|---|
| US-8039501-B2 | Synephrine derivatives useful as anti-inflammatory agents | UNIVERSITEIT GENT (BE) | 2011-10-18 | — | — | US | disclosed |
| US-20090029999-A1 | Synephrine derivatives useful as anti-inflammatory agents | UNIVERSITEIT GENT (BE) | 2009-01-29 | — | — | US | disclosed |
| US-4150137-A | ANTIINFLAMMATORY, ANTIPYRETIC, AND ANALGESIC AGENTS | HISAMITSU PHARMACEUTICAL CO. INC. (JP) | 1979-04-17 | — | — | US | disclosed |
| US-4075241-A | 2-(Aryl)-3-(dimethylamino)butyl-3,4,5-trimethoxybenzoates | GRUPPO LEPETIT S.P.A. (IT) | 1978-02-21 | — | — | 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-20090029999-A1 | Synephrine derivatives useful as anti-inflammatory agents | HRH1, HRH3, HRH2 | PTGS1 51/4885PTGS2 132/4885LMNA 2981/4885 |
“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.