Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.38 |
| ▸ | JAK1 | P23458 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2733461 | 0.74 | KLKB1 (0.36) | KLKB1PARP1PARP2 | |
| SCHEMBL26134016 | 0.74 | KLKB1 (0.36) | KLKB1PARP1PARP2 | |
| SCHEMBL26133925 | 0.73 | L3MBTL1 (0.40) | ALDH1A1L3MBTL1KLKB1PARP1PARP2 | |
| SCHEMBL28859320 | 0.72 | PARP1 (0.44) | L3MBTL1MAPK8PARP1JAK2JAK1 | |
| SCHEMBL20531617 | 0.72 | KLKB1 (0.46) | KLKB1PARP1 | |
| SCHEMBL4024499 | 0.69 | RECQL (0.44) | ADRA1DALDH1A1L3MBTL1MAPK8IKBKB | |
| SCHEMBL29271032 | 0.69 | KLKB1 (0.48) | ALDH1A1L3MBTL1KLKB1GAAMAPT | |
| SCHEMBL174972 | 0.69 | PARP1 (0.62) | ADRA1DALDH1A1L3MBTL1KLKB1PARP1 | |
| SCHEMBL26135704 | 0.69 | ADORA3 (0.36) | ADRA1DKLKB1PARP1PARP2 | |
| SCHEMBL26135903 | 0.69 | ADORA3 (0.36) | ADRA1DKLKB1PARP1PARP2JAK2 |
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-107935930-A | 3 difluoromethyl 1H pyrazoles of a kind of 1 methyl, 4 amide derivatives and preparation method and application | 浙江工业大学 | 2018-04-20 | — | — | CN | disclosed |