Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 3/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.38 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 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 | |
|---|---|---|---|---|
| SCHEMBL31062969 | 0.83 | ABCB1 (0.35) | BACE1AKR1C3AKR1C2 | |
| SCHEMBL2872223 | 0.79 | PDGFRB (0.40) | PDGFRBPDGFRACYP2A6NISCHBRD4 | |
| SCHEMBL1666334 | 0.78 | NISCH (0.40) | BACE1PDGFRBPDGFRACYP2A6NISCH | |
| SCHEMBL30094677 | 0.76 | — | — | |
| SCHEMBL1950449 | 0.76 | NISCH (0.40) | PDGFRBPDGFRACYP2A6NISCHAKR1C3 | |
| SCHEMBL1948810 | 0.76 | NR2F2 (0.41) | BACE1PDGFRBPDGFRACYP2A6NISCH | |
| SCHEMBL31064757 | 0.75 | BRD4 (0.42) | PDGFRBPDGFRACYP2A6NISCHAKR1C3 | |
| SCHEMBL1949982 | 0.75 | NISCH (0.40) | PDGFRBPDGFRACYP2A6NISCHAKR1C3 | |
| SCHEMBL1949218 | 0.73 | NISCH (0.38) | PDGFRBPDGFRACYP2A6NISCHAKR1C3 | |
| SCHEMBL20582707 | 0.72 | BRD4 (0.39) | PDGFRBPDGFRACYP2A6NISCHAKR1C3 |
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-2009119089-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE | 日本曹達株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |