Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.39 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.38 |
| ▸ | MAP1LC3A | Q9H492 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.34 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6173713 | 0.91 | PTGES (0.38) | HTR6MAP1LC3BMAP1LC3APTGESHDAC1 | |
| SCHEMBL7443310 | 0.89 | POLB (0.36) | HTR6MAP1LC3BMAP1LC3APTGESCTSD | |
| SCHEMBL7371939 | 0.88 | HTR6 (0.41) | HTR6MAP1LC3BMAP1LC3APTGESHDAC8 | |
| SCHEMBL6174303 | 0.86 | ITGA1 (0.40) | PTGESHDAC1LIMK1LIMK2CTSD | |
| SCHEMBL7482607 | 0.86 | ALDH1A1 (0.40) | MAP1LC3BMAP1LC3ALIMK1LIMK2LMNA | |
| SCHEMBL6175248 | 0.86 | CYP2C9 (0.38) | HTR2B | |
| SCHEMBL7440371 | 0.85 | HDAC1 (0.37) | HTR6MAP1LC3BMAP1LC3APTGESHDAC1 | |
| SCHEMBL7447436 | 0.85 | LIMK2 (0.37) | LIMK2 | |
| SCHEMBL6172890 | 0.85 | LIMK2 (0.39) | HDAC8HDAC1LIMK1LIMK2LMNA | |
| SCHEMBL7441470 | 0.85 | HTR6 (0.40) | HTR6MAP1LC3BMAP1LC3APTGESHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0729465-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | claimed |
| WO-1995014013-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | claimed |