Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.47 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KLK7 | P49862 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25297234 | 0.86 | BRD4 (0.47) | BRD4RAPGEF4KMT2AHTTTSHR | |
| SCHEMBL29200258 | 0.83 | DRD2 (0.37) | BRD4RAPGEF4DRD2CYP3A4SLC6A2 | |
| SCHEMBL1266871 | 0.83 | BRD4 (0.58) | BRD4DRD2CYP3A4SLC6A2HTR2A | |
| SCHEMBL25299441 | 0.81 | DRD2 (0.36) | BRD4RAPGEF4DRD2CYP3A4SLC6A2 | |
| SCHEMBL31150811 | 0.81 | BRD4 (0.51) | BRD4RAPGEF4DRD2CYP3A4SLC6A2 | |
| SCHEMBL18995268 | 0.81 | BRD4 (0.51) | BRD4RAPGEF4DRD2CYP3A4SLC6A2 | |
| SCHEMBL25300843 | 0.79 | PIK3C3 (0.36) | BRD4RAPGEF4DRD2CYP3A4SLC6A2 | |
| SCHEMBL14678605 | 0.79 | CYP3A4 (0.35) | BRD4RAPGEF4DRD2CYP3A4SLC6A2 | |
| SCHEMBL25302927 | 0.75 | HPGD (0.41) | BRD4KMT2AHTTTSHRLMNA | |
| SCHEMBL28769144 | 0.74 | BRD4 (0.44) | BRD4RAPGEF4HTTTSHRPIK3C3 |
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-2023131122-A1 | FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-07-13 | — | — | WO | disclosed |