Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.50 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3335047 | 0.85 | ADORA2A (0.51) | PABPC1BACE1ACHEMPOADORA2A | |
| SCHEMBL30201967 | 0.85 | ADORA2A (0.51) | PABPC1BACE1ACHEMPOADORA2A | |
| Valine SCHEMBL4522355 | 0.82 | HRH4 (0.41) | HRH4PABPC1ACHEMPOADORA2A | |
| SCHEMBL4523837 | 0.81 | DHFR (0.58) | HRH4PABPC1BACE1ACHEDHFR | |
| SCHEMBL1743306 | 0.81 | HRH4 (0.56) | HRH4PABPC1BACE1ACHEMPO | |
| SCHEMBL29653655 | 0.81 | DHFR (0.58) | HRH4PABPC1BACE1ACHEDHFR | |
| SCHEMBL21995777 | 0.81 | NPC1 (0.43) | ACHEDHFRHTT | |
| SCHEMBL3306872 | 0.81 | MPO (0.41) | HRH4PABPC1BACE1ACHEMPO | |
| SCHEMBL29487338 | 0.81 | MPO (0.41) | HRH4PABPC1BACE1ACHEMPO | |
| SCHEMBL15502381 | 0.78 | NPC1 (0.46) | BACE1ACHEMPOADORA2ADHFR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114555565-B | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-03-05 | — | — | CN | disclosed |
| CN-114555565-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2022-05-27 | — | — | CN | disclosed |
| WO-2021114691-A1 | NITROGEN-CONTAINING RING-FUSED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-06-17 | — | — | WO | disclosed |
| WO-2021114691-A1 | NITROGEN-CONTAINING RING-FUSED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-06-17 | — | — | WO | disclosed |
| EP-1812409-A1 | AMINOQUINAZOLINES COMPOUNDS | F. Hoffmann-Roche AG (CH) | 2007-08-01 | — | — | EP | disclosed |
| WO-2006050843-A1 | AMINOQUINAZOLINES COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-18 | — | — | WO | disclosed |