Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.45 |
| ▸ | CCR5 | P51681 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.43 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.43 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | PRKCG | P05129 | 1/20 | 0.42 |
| ▸ | PRKCB | P05771 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 1/20 | 0.42 |
| ▸ | PRKCH | P24723 | 1/20 | 0.42 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23024326 | 1.00 | BACE1 (0.45) | BACE1CCR5TSHRSMARCA2SMARCA4 | |
| SCHEMBL21383689 | 0.82 | NOTUM (0.39) | MAPK1 | |
| SCHEMBL4360931 | 0.81 | HRH3 (0.53) | CCR5TSHRALOX15ATMGPR119 | |
| SCHEMBL4360934 | 0.81 | HRH3 (0.53) | CCR5TSHRALOX15ATMGPR119 | |
| SCHEMBL30486636 | 0.80 | CCR5 (0.37) | BACE1CCR5TSHRSMARCA2SMARCA4 | |
| SCHEMBL23046107 | 0.80 | CCR5 (0.37) | BACE1CCR5TSHRSMARCA2SMARCA4 | |
| SCHEMBL20511867 | 0.79 | OPRD1 (0.49) | TSHRSMARCA2SMARCA4PBRM1ALOX15 | |
| SCHEMBL29993143 | 0.79 | OPRD1 (0.49) | TSHRSMARCA2SMARCA4PBRM1ALOX15 | |
| SCHEMBL26251994 | 0.77 | SIGMAR1 (0.50) | TSHRMAPK1 | |
| SCHEMBL11536144 | 0.77 | ALDH1A1 (0.47) | BACE1TSHRALOX15MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114478585-A | Nitrogen-containing fused heterocyclic compound and preparation method and application thereof | 上海青煜医药科技有限公司 | 2022-05-13 | — | — | CN | disclosed |