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 | |
|---|---|---|---|---|
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.73 |
| ▸ | TTR | P02766 | 2/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.73 |
| ▸ | HPGD | P15428 | 2/20 | 0.73 |
| ▸ | MEN1 | O00255 | 1/20 | 0.73 |
| ▸ | USP2 | O75604 | 1/20 | 0.73 |
| ▸ | DHFR | P00374 | 1/20 | 0.73 |
| ▸ | CA1 | P00915 | 1/20 | 0.73 |
| ▸ | CA2 | P00918 | 1/20 | 0.73 |
| ▸ | LMNA | P02545 | 1/20 | 0.73 |
| ▸ | ALB | P02768 | 1/20 | 0.73 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.73 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.73 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.73 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.73 |
| ▸ | DHODH | Q02127 | 2/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Diflunisal SCHEMBL11425418 | 0.97 | ACMSD (0.73) | ACMSDTTRKDM4EALDH1A1HPGD | |
| Diflunisal SCHEMBL11415395 | 0.85 | ACMSD (0.57) | ACMSDTTRKDM4EALDH1A1HPGD | |
| Diflunisal SCHEMBL4337 | 0.84 | ACMSD (1.00) | ACMSDTTRKDM4EALDH1A1HPGD | |
| Diflunisal SCHEMBL30509654 | 0.84 | ACMSD (1.00) | ACMSDTTRKDM4EALDH1A1HPGD | |
| Diflunisal SCHEMBL29367380 | 0.84 | ACMSD (1.00) | ACMSDTTRKDM4EALDH1A1HPGD | |
| Diflunisal SCHEMBL3848363 | 0.84 | ACMSD (1.00) | ACMSDTTRKDM4EALDH1A1HPGD | |
| SCHEMBL11272666 | 0.83 | ACMSD (0.75) | ACMSDTTRKDM4EALDH1A1HPGD | |
| Diflunisal SCHEMBL20876816 | 0.83 | ACMSD (0.97) | ACMSDTTRKDM4EALDH1A1HPGD | |
| SCHEMBL30590997 | 0.83 | ACMSD (0.75) | ACMSDTTRKDM4EALDH1A1HPGD | |
| Diflunisal SCHEMBL11425421 | 0.83 | ACMSD (0.97) | ACMSDTTRKDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0017169-A1 | Improved anti-inflammatory combinations having reduced ulcerogenicity | MERCK & CO. INC. (US) | 1980-10-15 | — | — | EP | disclosed |
| EP-0017102-A1 | Composition containing a phenyl benzoic acid compound and acetaminophen combination for the treatment of pain and inflammation and process for preparing the same | MERCK & CO. INC. (US) | 1980-10-15 | — | — | EP | disclosed |
| US-4228161-A | INDOMETHACIN AND A SUBSTITUTED PHENYL BENZOIC ACID | MERCK & CO., INC. (US) | 1980-10-14 | — | — | US | disclosed |
| US-4217340-A | ANALGESICS, ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. (US) | 1980-08-12 | — | — | US | disclosed |