Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MAP4K1 | Q92918 | 6/20 | 0.40 |
| ▸ | KDR | P35968 | 4/20 | 0.40 |
| ▸ | PRF1 | P14222 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7152012 | 1.00 | SIRT1 (0.57) | SIRT1MAOBCYP2A6MAP4K1KDR | |
| SCHEMBL7152010 | 1.00 | SIRT1 (0.57) | SIRT1MAOBCYP2A6MAP4K1KDR | |
| SCHEMBL1538367 | 0.79 | KDR (0.59) | SIRT1MAOBMAP4K1KDRMAPT | |
| SCHEMBL2768013 | 0.79 | KDR (0.59) | SIRT1MAOBMAP4K1KDRMAPT | |
| SCHEMBL14712887 | 0.75 | SIRT1 (0.69) | SIRT1MAOBCYP2A6PRF1MAPT | |
| SCHEMBL6627549 | 0.74 | PDPK1 (0.58) | KDRPDGFRBFGFR1CHEK1SYK | |
| SCHEMBL6627542 | 0.74 | PDPK1 (0.58) | KDRPDGFRBFGFR1CHEK1SYK | |
| SCHEMBL6627546 | 0.74 | PDPK1 (0.58) | KDRPDGFRBFGFR1CHEK1SYK | |
| SCHEMBL6389287 | 0.73 | LRRK2 (0.62) | SIRT1MAP4K1IDO1PDGFRB | |
| SCHEMBL6390272 | 0.73 | RET (0.62) | SIRT1MAOBMAP4K1KDRPDGFRB |
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 |
|---|---|---|---|---|---|---|---|
| US-6528653-B2 | E.g., 4,6-dihydro 4-(heterocyclic ring-methylene)thieno(2,3-b) pyrrolidin-5-one derivatives; tumor necrosis factor ) inhibitors; anticarcinogenic, -proliferative and -arthritic agents; Alzheimer's disease; cardiovascular disorders | HOFFMANN-LA ROCHE, INC. | 2003-03-04 | — | — | US | disclosed |