Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | HRAS | P01112 | 1/20 | 0.38 |
| ▸ | KRAS | P01116 | 1/20 | 0.38 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.35 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.35 |
| ▸ | PDE1A | P54750 | 1/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | ITGAL | P20701 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL3433088 | 0.89 | CHEK2 (0.40) | CHEK2ADORA2AADORA1PDE1APDE1B | |
| SCHEMBL3392361 | 0.82 | PARP1 (0.40) | ADORA2AADORA1MAP4K1KDM4E | |
| SCHEMBL3396520 | 0.80 | ADORA2A (0.36) | ADORA2AADORA1MAP4K1KDM4E | |
| Hydrochloric Acid SCHEMBL5750424 | 0.75 | HSP90AA1 (0.48) | CHEK2HRASKRASMAP4K1PDE1A | |
| SCHEMBL2896414 | 0.74 | MAPT (0.51) | CHEK2KDM4ECYP2D6 | |
| SCHEMBL4835059 | 0.74 | CHEK2 (0.42) | CHEK2HRASKRASSTIM1ORAI1 | |
| SCHEMBL3072409 | 0.72 | ITGB2 (0.55) | CHEK2ADRB1KDM4EITGB2ICAM1 | |
| SCHEMBL13425671 | 0.69 | ATR (0.46) | ADORA2AADORA1KDM4ECYP2D6MAOA | |
| SCHEMBL21198511 | 0.69 | MEN1 (0.38) | CHEK2HRASKRASSTIM1ORAI1 | |
| SCHEMBL30913760 | 0.69 | MEN1 (0.38) | CHEK2HRASKRASSTIM1ORAI1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |