Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | HINT1 | P49773 | 1/20 | 0.34 |
| ▸ | ADCY5 | O95622 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9707227 | 1.00 | CHKA (0.36) | CHKACHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL9309879 | 0.88 | AHCY (0.39) | CHRNB2CHRNA5CHRNA7CHRNA4HINT1 | |
| SCHEMBL9309888 | 0.88 | AHCY (0.39) | CHRNB2CHRNA5CHRNA7CHRNA4HINT1 | |
| SCHEMBL9308744 | 0.81 | AHCY (0.32) | CHRNB2CHRNA5CHRNA7CHRNA4HINT1 | |
| SCHEMBL9308749 | 0.81 | AHCY (0.32) | CHRNB2CHRNA5CHRNA7CHRNA4HINT1 | |
| SCHEMBL9310515 | 0.78 | ADCY5 (0.57) | ADCY5ADORA2A | |
| SCHEMBL9020083 | 0.78 | MGMT (0.41) | CHRNB2CHRNA5CHRNA7CHRNA4HINT1 | |
| SCHEMBL9752163 | 0.75 | MGMT (0.39) | ADORA2AADORA2B | |
| SCHEMBL9752227 | 0.71 | MGMT (0.34) | CYP1A2TSHR | |
| SCHEMBL9752226 | 0.71 | MGMT (0.34) | CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5374625-A | Bis/hydroxymethyl/cycloalkyl derivatives; viricides | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1994-12-20 | — | — | US | disclosed |
| EP-0468352-A2 | Novel nucleic acid derivatives | Nippon Kayaku Kabushiki Kaisha (JP) | 1992-01-29 | — | — | EP | disclosed |