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 | 4/20 | 0.53 |
| ▸ | PTGS2 known ✓ | P35354 | 4/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.53 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.53 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.53 |
| ▸ | ALB | P02768 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | RARB | P10826 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.53 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.53 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
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 SCHEMBL11795077 | 0.96 | PTGS1 (0.53) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| Ibufenac SCHEMBL11800996 | 0.94 | PTGS1 (0.52) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| SCHEMBL9577298 | 0.82 | PTGS1 (0.56) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| SCHEMBL241137 | 0.81 | POLB (0.58) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| SCHEMBL11800587 | 0.81 | PTGS1 (0.55) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| Ibufenac SCHEMBL24244 | 0.81 | PTGS1 (0.60) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| Ibuprofen SCHEMBL8076351 | 0.80 | CXCR1 (0.70) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| Ibuprofen SCHEMBL139269 | 0.80 | CXCR1 (0.70) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| SCHEMBL2528573 | 0.79 | PTGS1 (0.53) | PTGS1PTGS2ALOX5LMNACYP2C9 | |
| SCHEMBL21341936 | 0.79 | PTGS1 (0.53) | PTGS1PTGS2ALOX5LMNACYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0340289-A4 | LIQUID IBUPROFEN COMPOSITIONS AND METHODS OF MAKING THEM | — | 1991-03-13 | — | — | EP | disclosed |
| EP-0340289-A1 | LIQUID IBUPROFEN COMPOSITIONS AND METHODS OF MAKING THEM | ORATECH PHARMACEUTICAL DEVELOPMENT CORPORATION (US) | 1989-11-08 | — | — | EP | disclosed |
| US-4861797-A | Liquid ibuprofen compositions and methods of making them | ORATECH PHARMACEUTICAL DEVELOPMENT CORPORATION (US) | 1989-08-29 | — | — | US | disclosed |
| WO-1989003210-A1 | LIQUID IBUPROFEN COMPOSITIONS AND METHODS OF MAKING THEM | ORATECH PHARMACEUTICAL DEVELOPMENT CORPORATION (US) | 1989-04-20 | — | — | WO | disclosed |
| US-4150137-A | ANTIINFLAMMATORY, ANTIPYRETIC, AND ANALGESIC AGENTS | HISAMITSU PHARMACEUTICAL CO. INC. (JP) | 1979-04-17 | — | — | US | disclosed |