Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 6/20 | 0.51 |
| ▸ | TLR8 | Q9NR97 | 7/20 | 0.48 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.47 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24492391 | 1.00 | TLR7 (0.51) | TLR7TLR8ACSS2NUDT1BACE1 | |
| SCHEMBL30163788 | 0.82 | BRD4 (0.58) | — | |
| SCHEMBL24845833 | 0.82 | BRD4 (0.58) | — | |
| SCHEMBL17749540 | 0.81 | OPRK1 (0.56) | ACSS2KDM4E | |
| SCHEMBL19436514 | 0.80 | KDM4E (0.56) | TLR8BACE1CXCR4KDM4EADORA2A | |
| Bromide SCHEMBL23227960 | 0.79 | KDM4E (0.55) | TLR8BACE1CXCR4KDM4EADORA2A | |
| SCHEMBL21310907 | 0.79 | TLR7 (0.55) | TLR7TLR8ACSS2KDM4E | |
| SCHEMBL29465809 | 0.76 | MTNR1A (0.47) | TLR7CYP4F2CYP4A11 | |
| SCHEMBL14468545 | 0.76 | KDM4E (0.54) | TLR8NUDT1BACE1KDM4EADORA2A | |
| SCHEMBL2362229 | 0.75 | KDM4E (0.58) | TLR7BACE1KDM4EADORA2AEHMT2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022117051-A1 | MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 北京鞍石生物科技有限责任公司 | 2022-06-09 | — | — | WO | disclosed |
| CN-114057771-A | Macrocyclic compound and preparation method and application thereof | 北京鞍石生物科技有限责任公司 | 2022-02-18 | — | — | CN | disclosed |