Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 2/20 | 0.36 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.36 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1140927 | 1.00 | DHFR (0.42) | DHFRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL212131 | 0.77 | TLR7 (0.44) | PDE4DPDPK1PARP1ACHENUDT1 | |
| SCHEMBL29694218 | 0.77 | TLR7 (0.44) | PDE4DPDPK1PARP1ACHENUDT1 | |
| SCHEMBL1007376 | 0.75 | DHFR (0.53) | DHFRPARP1ACHENUDT1LMNA | |
| SCHEMBL30413516 | 0.75 | PRMT5 (0.42) | DHFRPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL311681 | 0.75 | PRMT5 (0.42) | DHFRPDE4APDE4BPDE4CPDE4D | |
| Hydrochloric Acid SCHEMBL5523405 | 0.75 | RAB9A (0.44) | PDE4DPDPK1PARP1ACHENUDT1 | |
| SCHEMBL4377817 | 0.75 | DHFR (0.40) | DHFRPARP1ACHENUDT1LMNA | |
| Hydrochloric Acid SCHEMBL10587438 | 0.74 | ALDH1A1 (0.46) | PDE4DPDPK1PARP1ACHENUDT1 | |
| SCHEMBL28312743 | 0.73 | TLR7 (0.44) | PDE4DACHENUDT1LMNAADORA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114805341-B | Aromatic heterocyclic compound, and preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-12-08 | — | — | CN | disclosed |
| WO-2022161420-A1 | CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-08-04 | — | — | WO | disclosed |
| CN-114805341-A | Aromatic heterocyclic compounds and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-07-29 | — | — | CN | disclosed |