Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | PLAT | P00750 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | TNKS | O95271 | 2/20 | 0.32 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8962846 | 1.00 | SLC6A3 (0.39) | SLC6A3NISCHPLATERN1HDAC2 | |
| SCHEMBL9540776 | 0.91 | SLC6A3 (0.36) | SLC6A3PLATERN1HDAC2KCNH2 | |
| SCHEMBL8963272 | 0.89 | SLC6A3 (0.35) | SLC6A3HDAC2RIPK1RXRAGRIN1 | |
| SCHEMBL8963266 | 0.89 | SLC6A3 (0.35) | SLC6A3HDAC2RIPK1RXRAGRIN1 | |
| SCHEMBL8963237 | 0.87 | P2RY14 (0.35) | HDAC2TNKSTNKS2NPC1RAB9A | |
| SCHEMBL8963228 | 0.87 | P2RY14 (0.35) | HDAC2TNKSTNKS2NPC1RAB9A | |
| SCHEMBL8963109 | 0.85 | SLC6A3 (0.33) | SLC6A3HDAC2RIPK1RXRAGRIN1 | |
| SCHEMBL8962842 | 0.85 | JAK2 (0.35) | HDAC2KCNH2NPC1RAB9AJAK2 | |
| SCHEMBL8962836 | 0.85 | JAK2 (0.35) | HDAC2KCNH2NPC1RAB9AJAK2 | |
| SCHEMBL8962923 | 0.84 | KDM1A (0.37) | HDAC2KCNH2TNKSTNKS2NPC1 |
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-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |