Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.63 |
| ▸ | PDE2A | O00408 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.63 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | SLC29A1 | Q99808 | 7/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.58 |
| ▸ | CD99 | P14209 | 1/20 | 0.54 |
| ▸ | PGK1 | P00558 | 1/20 | 0.53 |
| ▸ | PGK2 | P07205 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NT5E | P21589 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8970348 | 1.00 | ADORA2A (0.63) | ADORA2AADORA3ADORA1PDE2AADRA1A | |
| SCHEMBL24233636 | 1.00 | ADORA2A (0.63) | ADORA2AADORA3ADORA1PDE2AADRA1A | |
| SCHEMBL8970329 | 1.00 | ADORA2A (0.63) | ADORA2AADORA3ADORA1PDE2AADRA1A | |
| SCHEMBL24233631 | 1.00 | ADORA2A (0.63) | ADORA2AADORA3ADORA1PDE2AADRA1A | |
| SCHEMBL8970907 | 0.91 | ADORA2A (0.62) | ADORA2AADORA3ADORA1PDE2AADRA1A | |
| SCHEMBL8970895 | 0.91 | ADORA2A (0.62) | ADORA2AADORA3ADORA1PDE2AADRA1A | |
| Nelarabine SCHEMBL9937290 | 0.90 | CYP2C19 (0.71) | ADORA2AADORA3ADORA1CYP2C19SLC29A1 | |
| Nelarabine SCHEMBL14031852 | 0.90 | CYP2C19 (0.71) | ADORA2AADORA3ADORA1CYP2C19SLC29A1 | |
| Nelarabine SCHEMBL18820 | 0.90 | CYP2C19 (0.71) | ADORA2AADORA3ADORA1CYP2C19SLC29A1 | |
| Nelarabine SCHEMBL20769831 | 0.90 | CYP2C19 (0.71) | ADORA2AADORA3ADORA1CYP2C19SLC29A1 |
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-2020184677-A1 | ANTI-HEPATITIS B VIRUS AGENT | ダイキン工業株式会社 | 2020-09-17 | — | — | WO | disclosed |