Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | MARK3 | P27448 | 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 | |
|---|---|---|---|---|
| SCHEMBL28319063 | 0.87 | NOTUM (0.64) | NOTUMRAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL10274629 | 0.80 | NOTUM (0.68) | NOTUMRAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL1233832 | 0.78 | NOTUM (0.66) | NOTUMRAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL16373619 | 0.77 | NOTUM (0.49) | NOTUMRAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL11804748 | 0.77 | NOTUM (0.64) | NOTUMRAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL4050311 | 0.77 | NOTUM (0.74) | NOTUMRAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL27163705 | 0.77 | NOTUM (0.64) | NOTUMRAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL7213182 | 0.77 | RARB (0.54) | RAB9AALDH1A1SMN1; SMN2PPARANPC1 | |
| SCHEMBL28668650 | 0.77 | NPC1 (0.61) | RAB9ANPC1CASP3SENP8SENP7 | |
| SCHEMBL10389733 | 0.76 | KDM4E (0.59) | ALDH1A1PPARACNR2 |
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-110256369-A | A method of preparing the isoxazole compound of Polyfluoroalkyl substitution | 中国人民大学 | 2019-09-20 | — | — | CN | disclosed |