Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | CHUK | O15111 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29044811 | 1.00 | KDM4E (0.56) | KDM4EMEN1MAPTKMT2ADYRK1A | |
| SCHEMBL5745564 | 0.83 | ADORA2A (0.55) | KDM4EMEN1MAPTKMT2AADORA2A | |
| SCHEMBL5511069 | 0.79 | KDM4E (0.64) | KDM4EMAPTDYRK1AADORA2AADORA1 | |
| SCHEMBL28822368 | 0.79 | NUDT1 (0.54) | KDM4EMEN1MAPTKMT2AADORA2A | |
| SCHEMBL11645510 | 0.79 | ADORA2A (0.79) | KDM4EMEN1MAPTKMT2ADYRK1A | |
| SCHEMBL1358158 | 0.78 | XDH (0.57) | KDM4EMAPTDYRK1AADORA2AADORA1 | |
| SCHEMBL3923558 | 0.78 | ASIC3 (0.62) | KDM4EMEN1MAPTKMT2AADORA2A | |
| SCHEMBL5229810 | 0.77 | HSP90AA1 (0.62) | KDM4EMEN1MAPTKMT2AADORA2A | |
| SCHEMBL7711741 | 0.77 | TAAR1 (0.59) | KDM4EMEN1MAPTKMT2ADYRK1A | |
| SCHEMBL30186623 | 0.76 | KDM4E (0.53) | KDM4EMEN1MAPTKMT2AADORA2A |
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-113061116-B | Aminopyrimidine compound, preparation method, composition and application thereof | 上海医药工业研究院 | 2023-07-25 | — | — | CN | disclosed |