Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL30832516 | 0.87 | — | — | |
| SCHEMBL31035786 | 0.86 | — | — | |
| SCHEMBL30832513 | 0.84 | — | — | |
| SCHEMBL31035838 | 0.84 | — | — | |
| SCHEMBL31035635 | 0.83 | — | — | |
| SCHEMBL30832517 | 0.83 | — | — | |
| SCHEMBL30832510 | 0.83 | — | — | |
| SCHEMBL31035775 | 0.81 | DRD4 (0.34) | — | |
| SCHEMBL31035588 | 0.81 | GPR39 (0.31) | KDM4E | |
| SCHEMBL30832541 | 0.80 | ADCY10 (0.34) | TP53KDM4ENPC1TSHRRAB9A |
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-118434744-A | Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2024-08-02 | — | — | CN | disclosed |