Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.33 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.33 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.33 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1075136 | 0.87 | KCNH2 (0.36) | KCNH2TDP1MEN1KMT2AIDO1 | |
| SCHEMBL14439807 | 0.86 | KCNH2 (0.38) | KCNH2TDP1MEN1KMT2AIDO1 | |
| SCHEMBL5852651 | 0.85 | KCNH2 (0.35) | KCNH2TDP1MEN1KMT2AIDO1 | |
| SCHEMBL6957548 | 0.85 | KCNH2 (0.35) | KCNH2TDP1MEN1KMT2AIDO1 | |
| SCHEMBL14439809 | 0.85 | KCNH2 (0.35) | KCNH2TDP1MEN1KMT2AIDO1 | |
| SCHEMBL8343685 | 0.85 | KCNH2 (0.37) | KCNH2TDP1MEN1KMT2AIDO1 | |
| SCHEMBL6967722 | 0.84 | TDP1 (0.34) | KCNH2TDP1MEN1KMT2AIDO1 | |
| SCHEMBL6973648 | 0.83 | KCNH2 (0.34) | KCNH2TDP1HSP90B1TRAP1 | |
| SCHEMBL7077305 | 0.83 | KCNH2 (0.34) | KCNH2TDP1HSP90B1TRAP1 | |
| SCHEMBL7084120 | 0.83 | KCNH2 (0.34) | KCNH2TDP1MEN1KMT2AHSP90B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1720856-B1 | HIV INTEGRASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2013-08-14 | — | — | EP | claimed |
| EP-1569931-B1 | HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-10-08 | — | — | EP | claimed |
| EP-1569933-B1 | PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2008-07-23 | — | — | EP | claimed |
| EP-1172097-B1 | PROCESS FOR PRODUCING MEDICINAL COMPOSITION OF A BASIC HYDROPHOBIC MEDICINAL COMPOUND | SHIONOGI & CO (JP) | 2004-09-08 | — | — | EP | claimed |