Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Flufenisal. 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 | 0.41 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 4/20 | 0.69 |
| ▸ | TTR | P02766 | 2/20 | 0.69 |
| ▸ | DHFR | P00374 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.69 |
| ▸ | HPGD | P15428 | 2/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.69 |
| ▸ | MEN1 | O00255 | 1/20 | 0.69 |
| ▸ | USP2 | O75604 | 1/20 | 0.69 |
| ▸ | CA1 | P00915 | 1/20 | 0.69 |
| ▸ | CA2 | P00918 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 1/20 | 0.69 |
| ▸ | ALB | P02768 | 1/20 | 0.69 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.69 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL30338549 | 0.91 | CFD (0.66) | ACMSDTTRDHFRKDM4EALDH1A1 | |
| SCHEMBL4777241 | 0.91 | CFD (0.66) | ACMSDTTRDHFRKDM4EALDH1A1 | |
| Diflunisal SCHEMBL5602956 | 0.90 | ACMSD (0.70) | ACMSDTTRDHFRKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL9160530 | 0.90 | CFD (0.64) | ACMSDTTRDHFRKDM4EALDH1A1 | |
| SCHEMBL11413200 | 0.90 | CFD (0.64) | ACMSDTTRDHFRKDM4EALDH1A1 | |
| SCHEMBL11413219 | 0.90 | CFD (0.64) | ACMSDTTRDHFRKDM4EALDH1A1 | |
| Diflunisal SCHEMBL28350701 | 0.84 | ACMSD (0.91) | ACMSDTTRDHFRKDM4EALDH1A1 | |
| Flufenisal SCHEMBL11333508 | 0.84 | CFD (0.81) | KDM4EALDH1A1HMGB1HPGDHSD17B10 | |
| Flufenisal SCHEMBL38781 | 0.84 | CFD (0.81) | KDM4EALDH1A1HMGB1HPGDHSD17B10 | |
| SCHEMBL5604291 | 0.83 | KDM4E (0.60) | ACMSDTTRDHFRKDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008045746-A2 | SYSTEM AND APPARATUS FOR DISPENSING CONTROLLED PHARMACEUTICAL PRODUCTS | MCNEIL-PPC, INC. (US) | 2008-04-17 | — | — | WO | disclosed |