Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.69 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | THPO | P40225 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
| ▸ | NPC1 | O15118 | 1/20 | 0.64 |
| ▸ | NPY1R | P25929 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | NPY2R | P49146 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 1/20 | 0.64 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.64 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL4168665 | 0.87 | ADORA2A (0.65) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL8115629 | 0.82 | ADORA2A (1.00) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL4153023 | 0.82 | ADORA2A (1.00) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL4152034 | 0.82 | ADORA2A (1.00) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL4808305 | 0.82 | CYP1A2 (0.73) | ADORA2AADORA2BCYP1A2LMNACYP2C19 | |
| SCHEMBL4801134 | 0.82 | LMNA (0.73) | ADORA2AADORA2BCYP1A2LMNACYP2C19 | |
| SCHEMBL6259642 | 0.82 | LMNA (0.73) | ADORA2AADORA2BCYP1A2LMNACYP2C19 | |
| SCHEMBL5389974 | 0.82 | LMNA (0.73) | ADORA2AADORA2BCYP1A2LMNACYP2C19 | |
| SCHEMBL8102432 | 0.81 | ADORA2A (1.00) | ADORA2AADORA2BADORA3ADORA1 | |
| SCHEMBL8102444 | 0.81 | ADORA2A (1.00) | ADORA2AADORA2BADORA3ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101072787-A | Substituted adenines and the use thereof | ASTRAZENECA AB (SE) | 2007-11-14 | — | — | CN | disclosed |