Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.62 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28625336 | 0.89 | ADORA2A (0.59) | ADORA2ACYP3A4ADORA1HDAC1NPC1 | |
| SCHEMBL28629497 | 0.88 | ADORA2A (0.62) | ADORA2ACYP3A4ADORA1HDAC6HDAC1 | |
| SCHEMBL28640873 | 0.83 | ADORA2A (0.62) | ADORA2ACYP3A4ADORA1CYP2D6 | |
| SCHEMBL30577991 | 0.81 | ADORA2A (0.63) | ADORA2ACYP3A4ADORA1HDAC6HDAC1 | |
| SCHEMBL28922970 | 0.81 | ADORA2A (0.63) | ADORA2ACYP3A4ADORA1HDAC6HDAC1 | |
| SCHEMBL8253023 | 0.79 | ADORA2A (0.79) | ADORA2ACYP3A4ADORA1NPC1TP53 | |
| SCHEMBL28642248 | 0.78 | ADORA2A (0.61) | ADORA2ACYP3A4ADORA1CYP2D6 | |
| SCHEMBL5016130 | 0.77 | ADORA2A (0.75) | ADORA2ACYP3A4ADORA1CYP2D6 | |
| SCHEMBL5024970 | 0.75 | ADORA2A (0.80) | ADORA2ACYP3A4ADORA1 | |
| SCHEMBL28633899 | 0.75 | ADORA2A (0.58) | ADORA2ACYP3A4ADORA1CYP2D6 |
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-113387938-A | Substituted pyrimidine compound, preparation method, intermediate and application thereof | 上海科技大学 | 2021-09-14 | — | — | CN | disclosed |