Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diflunisal. 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 | 1/20 | 0.55 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.55 |
| ▸ | ACMSD | Q8TDX5 | 6/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | HPGD | P15428 | 3/20 | 0.70 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | TTR | P02766 | 2/20 | 0.70 |
| ▸ | DHFR | P00374 | 2/20 | 0.70 |
| ▸ | MEN1 | O00255 | 1/20 | 0.70 |
| ▸ | USP2 | O75604 | 1/20 | 0.70 |
| ▸ | CA1 | P00915 | 1/20 | 0.70 |
| ▸ | CA2 | P00918 | 1/20 | 0.70 |
| ▸ | ALB | P02768 | 1/20 | 0.70 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.70 |
| ▸ | SLC22A6 | Q4U2R8 | 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 | |
|---|---|---|---|---|
| Guacetisal SCHEMBL13724334 | 0.90 | KDM4E (0.60) | ACMSDKDM4EHSD17B10ALDH1A1HPGD | |
| Flufenisal SCHEMBL4730188 | 0.90 | ACMSD (0.69) | ACMSDKDM4EHSD17B10ALDH1A1HPGD | |
| Diflunisal SCHEMBL5603898 | 0.89 | KDM4E (0.55) | ACMSDKDM4EHSD17B10ALDH1A1HPGD | |
| Salsalate SCHEMBL360114 | 0.89 | ACMSD (0.70) | ACMSDKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL30338549 | 0.87 | CFD (0.66) | ACMSDKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL4777241 | 0.87 | CFD (0.66) | ACMSDKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL5604291 | 0.86 | KDM4E (0.60) | ACMSDKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL11413200 | 0.86 | CFD (0.64) | ACMSDKDM4EHSD17B10ALDH1A1HPGD | |
| SCHEMBL11413219 | 0.86 | CFD (0.64) | ACMSDKDM4EHSD17B10ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL9160530 | 0.86 | CFD (0.64) | ACMSDKDM4EHSD17B10ALDH1A1HPGD |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160158222-A1 | COMBINATIONS OF OPIOID/TLR4 ANTAGONIST AND A CYCLOOXYGENASE (COX) INHIBITOR FOR USE IN THE TREATMENT OF PAIN | ALLODYNIC THERAPEUTICS, LLC | 2016-06-09 | — | — | US | claimed |
| US-20140275142-A1 | Combinations of Opioid/TLR4 Antagonist and a Cyclooxygenase (COX) Inhibitor for Use in the Treatment of Pain | ALLODYNIC THERAPEUTICS, LLC | 2014-09-18 | — | — | US | claimed |
| US-20160158222-A1 | COMBINATIONS OF OPIOID/TLR4 ANTAGONIST AND A CYCLOOXYGENASE (COX) INHIBITOR FOR USE IN THE TREATMENT OF PAIN | ALLODYNIC THERAPEUTICS, LLC | 2016-06-09 | — | — | US | disclosed |
| US-9205081-B2 | Combinations of opiod/TLR4 antagonist and a cyclooxygenase (COX) inhibitor for use in the treatment of pain | ALLODYNIC THERAPEUTICS, LLC (US) | 2015-12-08 | — | — | US | disclosed |
| US-20140275142-A1 | Combinations of Opioid/TLR4 Antagonist and a Cyclooxygenase (COX) Inhibitor for Use in the Treatment of Pain | ALLODYNIC THERAPEUTICS, LLC | 2014-09-18 | — | — | US | disclosed |
| US-7183269-B2 | Synergistic compositions for the selective control of tumor tissue | KREUTZ WERNER | 2007-02-27 | — | — | US | disclosed |
| US-20040147493-A1 | Synergistic compositions for the selective control of tumor tissue | KREUTZ WERNER | 2004-07-29 | — | — | US | disclosed |
| US-6727235-B2 | Synergistic mixture comprising benzoic acid derivatives for use as anticarcinogenic agents, antitumor agents | KREUTZ WERNER (DE) | 2004-04-27 | — | — | US | disclosed |
| US-20030166621-A1 | Synergistic mixture comprising benzoic acid derivatives for use as anticarcinogenic agents, antitumor agents | KREUTZ WERNER (DE) | 2003-09-04 | — | — | US | disclosed |
| US-6525038-B1 | Synergistic composition of 5-(2,4-difluorophenyl) salicylic acid and 2-hydroxy-4-aminobenzoic acid | KREUTZ WERNER (DE) | 2003-02-25 | — | — | US | disclosed |
| US-6395720-B1 | ANTICANCER AGENTS | KREUTZ WERNER (DE) | 2002-05-28 | — | — | US | disclosed |