Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26092460 | 1.00 | CHRNB2 (0.50) | CHRNB2CHRNA4ALDH1A1KDM4ETDP1 | |
| SCHEMBL5234412 | 0.93 | CHRNB2 (0.50) | CHRNB2CHRNA4ALDH1A1KDM4ETDP1 | |
| SCHEMBL11102080 | 0.87 | MAPK1 (0.51) | CHRNB2CHRNA4ALDH1A1KDM4ETDP1 | |
| SCHEMBL30910110 | 0.84 | EPHX2 (0.55) | ALDH1A1TDP1DRD2DRD4DRD3 | |
| SCHEMBL6419724 | 0.84 | EPHX2 (0.55) | ALDH1A1TDP1DRD2DRD4DRD3 | |
| SCHEMBL30910112 | 0.84 | EPHX2 (0.55) | ALDH1A1TDP1DRD2DRD4DRD3 | |
| SCHEMBL30910138 | 0.83 | MKNK1 (0.47) | ALDH1A1POLBEPHX2SCN9A | |
| SCHEMBL26092416 | 0.83 | MKNK1 (0.47) | ALDH1A1POLBEPHX2SCN9A | |
| SCHEMBL9678558 | 0.78 | POLB (0.56) | CHRNB2CHRNA4ALDH1A1KDM4ETDP1 | |
| SCHEMBL30673809 | 0.77 | SIGMAR1 (0.46) | ALDH1A1KDM4EDRD3HTTSMN1; SMN2 |
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-118119612-A | Novel compounds and pharmaceutical compositions comprising the same | 萨皮恩斯生物有限公司 | 2024-05-31 | — | — | CN | disclosed |