Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | BRD4 | O60885 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27531429 | 0.76 | HTT (0.60) | HTTLMNACYP1A2HIF1ATSHR | |
| SCHEMBL405823 | 0.75 | HTT (0.58) | HTTLMNACYP1A2HIF1ATSHR | |
| SCHEMBL9201457 | 0.74 | HTT (1.00) | HTTLMNACYP1A2HIF1ATSHR | |
| SCHEMBL29611420 | 0.73 | HTT (0.76) | HTTLMNACYP1A2HIF1ATSHR | |
| SCHEMBL7758793 | 0.73 | HTT (0.76) | HTTLMNACYP1A2HIF1ATSHR | |
| SCHEMBL29141658 | 0.73 | NPC1 (0.56) | HTTLMNABRD4TP53HSD17B10 | |
| SCHEMBL9094494 | 0.72 | PDPK1 (0.64) | HTTLMNABRD4TP53HSD17B10 | |
| SCHEMBL796517 | 0.72 | HTT (0.82) | HTTLMNACYP1A2TSHRTP53 | |
| SCHEMBL4922851 | 0.71 | PRMT1 (0.69) | HTTLMNACYP1A2BRD4HIF1A | |
| SCHEMBL21914 | 0.71 | HTT (0.62) | HTTLMNACYP1A2HIF1ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-117430609-B | Purine derivative compound, preparation method and application thereof | 东北农业大学 | 2024-05-24 | — | — | CN | disclosed |
| CN-117430609-A | Purine derivative compound, preparation method and application thereof | 东北农业大学 | 2024-01-23 | — | — | CN | disclosed |