Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRC | Q99895 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | BCL2 | P10415 | 1/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25260735 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL30068862 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL30068919 | 0.77 | MAPK1 (0.35) | LMNA | |
| SCHEMBL25260744 | 0.74 | CSNK2A1 (0.31) | — | |
| SCHEMBL25260922 | 0.74 | KDM4E (0.42) | CCR5LMNA | |
| SCHEMBL25302681 | 0.72 | MAPT (0.46) | — | |
| SCHEMBL25296632 | 0.71 | MAPT (0.44) | CCR5LMNA | |
| SCHEMBL25254901 | 0.71 | TSHR (0.45) | CCR5 | |
| SCHEMBL25256658 | 0.71 | CYP2A13 (0.44) | CCR5 | |
| SCHEMBL25296297 | 0.71 | WNT3A (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022184152-A1 | FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2022-09-09 | — | — | WO | disclosed |