Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 9/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 9/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CFB | P00751 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3649735 | 0.74 | OPRM1 (0.51) | PARP1HRH3OPRM1OPRD1PARP14 | |
| SCHEMBL1036815 | 0.74 | PARP1 (0.64) | PARP1HRH3OPRM1OPRD1PARP14 | |
| SCHEMBL5228523 | 0.71 | CHRNA7 (0.62) | CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL5712868 | 0.71 | CHRNA7 (0.42) | CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL28330716 | 0.71 | KMO (0.65) | PARP1HRH3OPRM1OPRD1 | |
| SCHEMBL29503161 | 0.71 | KMO (0.65) | PARP1HRH3OPRM1OPRD1 | |
| Benzamide SCHEMBL2289514 | 0.71 | L3MBTL1 (0.52) | PARP1OPRM1OPRD1OPRK1PARP14 | |
| SCHEMBL11988994 | 0.71 | OPRM1 (0.64) | PARP1OPRM1OPRD1 | |
| SCHEMBL13070743 | 0.70 | PARP1 (0.58) | PARP1HRH3OPRM1OPRD1KDM1A | |
| SCHEMBL22473243 | 0.70 | OPRM1 (0.42) | PARP1HRH3OPRM1OPRD1ALDH1A1 |
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-115850120-A | Preparation method of alcohol alpha-carbon hydrogen bond alkylated compound | 浙江工业大学 | 2023-03-28 | — | — | CN | disclosed |