Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.56 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.56 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.56 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.56 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.56 |
| ▸ | AGTR1 | P30556 | 8/20 | 0.55 |
| ▸ | AGTR2 | P50052 | 8/20 | 0.55 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28522379 | 0.90 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL28518880 | 0.88 | AGTR1 (0.55) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL34462302 | 0.71 | AGTR1 (0.51) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL28524820 | 0.70 | ALDH1A1 (0.44) | MEN1LMNAPOLBHTTKMT2A | |
| SCHEMBL28518019 | 0.69 | PPARG (0.62) | AGTR1AGTR2MAPTSMN1; SMN2 | |
| SCHEMBL28511100 | 0.65 | RARB (0.39) | MEN1LMNAKMT2AALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL4468113 | 0.65 | NPSR1 (0.51) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL16145817 | 0.64 | PDE4A (0.56) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL9913720 | 0.64 | ALDH1A1 (0.68) | MEN1LMNAPOLBHTTKMT2A | |
| SCHEMBL4557233 | 0.63 | TLR8 (0.50) | — |
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-106279044-B | Pyrimidine hydroxamic acid derivative and preparation method and application thereof | 厦门市博瑞来医药科技有限公司 | 2021-02-19 | — | — | CN | disclosed |