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 | 7/20 | 0.74 |
| ▸ | TTR | P02766 | 2/20 | 0.74 |
| ▸ | DHFR | P00374 | 2/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.74 |
| ▸ | MEN1 | O00255 | 1/20 | 0.74 |
| ▸ | USP2 | O75604 | 1/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.74 |
| ▸ | CA1 | P00915 | 1/20 | 0.74 |
| ▸ | CA2 | P00918 | 1/20 | 0.74 |
| ▸ | LMNA | P02545 | 1/20 | 0.74 |
| ▸ | ALB | P02768 | 1/20 | 0.74 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.74 |
| ▸ | HPGD | P15428 | 1/20 | 0.74 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.74 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.74 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.74 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.74 |
| ▸ | MCL1 | Q07820 | 8/20 | 0.46 |
| ▸ | DHODH | Q02127 | 2/20 | 0.43 |
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 SCHEMBL11415395 | 0.89 | ACMSD (0.57) | ACMSDTTRDHFRKDM4EMEN1 | |
| Diflunisal SCHEMBL4337 | 0.86 | ACMSD (1.00) | ACMSDTTRDHFRKDM4EMEN1 | |
| Diflunisal SCHEMBL3848363 | 0.86 | ACMSD (1.00) | ACMSDTTRDHFRKDM4EMEN1 | |
| Diflunisal SCHEMBL29367380 | 0.86 | ACMSD (1.00) | ACMSDTTRDHFRKDM4EMEN1 | |
| Diflunisal SCHEMBL30509654 | 0.86 | ACMSD (1.00) | ACMSDTTRDHFRKDM4EMEN1 | |
| Diflunisal SCHEMBL28350701 | 0.85 | ACMSD (0.91) | ACMSDTTRDHFRKDM4EMEN1 | |
| Diflunisal SCHEMBL28916416 | 0.85 | ACMSD (0.97) | ACMSDTTRDHFRKDM4EMEN1 | |
| Diflunisal SCHEMBL20876816 | 0.85 | ACMSD (0.97) | ACMSDTTRDHFRKDM4EMEN1 | |
| Diflunisal SCHEMBL1869144 | 0.85 | ACMSD (0.97) | ACMSDTTRDHFRKDM4EMEN1 | |
| Diflunisal SCHEMBL11425421 | 0.85 | ACMSD (0.97) | ACMSDTTRDHFRKDM4EMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10682311-B2 | Intranasal dexmedetomidine compositions and methods of use thereof | BAUDAX BIO, INC. (US) | 2020-06-16 | — | — | US | disclosed |
| EP-0009808-A1 | Composition having skeletal muscle relaxant activity | MERCK & CO. INC. (US) | 1980-04-16 | — | — | EP | disclosed |