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 | 1.00 |
| ▸ | TTR | P02766 | 2/20 | 1.00 |
| ▸ | DHFR | P00374 | 2/20 | 1.00 |
| ▸ | CA1 | P00915 | 2/20 | 1.00 |
| ▸ | CA2 | P00918 | 2/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 1.00 |
| ▸ | MEN1 | O00255 | 1/20 | 1.00 |
| ▸ | USP2 | O75604 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | ALB | P02768 | 1/20 | 1.00 |
| ▸ | HMGB1 | P09429 | 1/20 | 1.00 |
| ▸ | HPGD | P15428 | 1/20 | 1.00 |
| ▸ | CXCL12 | P48061 | 1/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 1/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 1/20 | 1.00 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 1.00 |
| ▸ | MCL1 | Q07820 | 8/20 | 0.53 |
| ▸ | HNF4A | P41235 | 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 | |
|---|---|---|---|---|
| Diflunisal SCHEMBL29367380 | 1.00 | ACMSD (1.00) | ACMSDTTRDHFRCA1CA2 | |
| Diflunisal SCHEMBL4337 | 1.00 | ACMSD (1.00) | ACMSDTTRDHFRCA1CA2 | |
| Diflunisal SCHEMBL3848363 | 1.00 | ACMSD (1.00) | ACMSDTTRDHFRCA1CA2 | |
| Diflunisal SCHEMBL28916416 | 0.98 | ACMSD (0.97) | ACMSDTTRDHFRCA1CA2 | |
| Diflunisal SCHEMBL11425421 | 0.98 | ACMSD (0.97) | ACMSDTTRDHFRCA1CA2 | |
| Diflunisal SCHEMBL20876816 | 0.98 | ACMSD (0.97) | ACMSDTTRDHFRCA1CA2 | |
| Diflunisal SCHEMBL1869144 | 0.98 | ACMSD (0.97) | ACMSDTTRDHFRCA1CA2 | |
| Diflunisal SCHEMBL28338853 | 0.98 | ACMSD (0.97) | ACMSDTTRDHFRCA1CA2 | |
| Diflunisal SCHEMBL28350701 | 0.95 | ACMSD (0.91) | ACMSDTTRDHFRCA1CA2 | |
| Diflunisal SCHEMBL6690010 | 0.94 | ACMSD (0.89) | ACMSDTTRDHFRCA1CA2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116606205-A | Synthetic method of ester compound | 浙江工业大学 | 2023-08-18 | — | — | CN | claimed |
| EP-4466251-A1 | TREATMENT OF SIGNS, SYMPTOMS AND/OR COMPLICATIONS OF VIRAL, BACTERIAL, PROTOZOAL, AND/OR FUNGAL INFECTIONS BY HIGH PENETRATION PRODRUGS | TECHFIELDS INC. (US) | 2024-11-27 | — | — | EP | disclosed |
| CN-118556043-A | Treatment of signs, symptoms and/or complications of viral, bacterial, protozoal and/or fungal infections by highly penetrating prodrugs | 苏州泰飞尔医药有限公司 | 2024-08-27 | — | — | CN | disclosed |
| CN-111808011-B | High penetration composition and its application | 泰飞尔生物医药(苏州)有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-116606205-A | Synthetic method of ester compound | 浙江工业大学 | 2023-08-18 | — | — | CN | disclosed |
| WO-2023134733-A1 | TREATMENT OF SIGNS, SYMPTOMS AND/OR COMPLICATIONS OF VIRAL, BACTERIAL, PROTOZOAL, AND/OR FUNGAL INFECTIONS BY HIGH PENETRATION PRODRUGS | TECHFIELDS PHARMA CO., LTD. (CN) | 2023-07-20 | — | — | WO | disclosed |