Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.42 |
| ▸ | CD38 | P28907 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ADA | P00813 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 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 | |
|---|---|---|---|---|
| SCHEMBL28214275 | 0.81 | PARP1 (0.44) | PARP1AADATMEN1KMT2AAURKA | |
| SCHEMBL2733461 | 0.73 | KLKB1 (0.36) | PARP1 | |
| SCHEMBL26134016 | 0.73 | KLKB1 (0.36) | PARP1 | |
| SCHEMBL28214209 | 0.72 | ADRA1D (0.48) | PARP1MAPK8JAK2JAK1SMN1; SMN2 | |
| SCHEMBL26133925 | 0.72 | L3MBTL1 (0.40) | PARP1JAK2JAK1LMNASMN1; SMN2 | |
| SCHEMBL26135704 | 0.68 | ADORA3 (0.36) | PARP1 | |
| SCHEMBL26135903 | 0.68 | ADORA3 (0.36) | PARP1JAK2JAK1 | |
| SCHEMBL345169 | 0.67 | ADORA2A (0.37) | PARP1 | |
| SCHEMBL20531617 | 0.67 | KLKB1 (0.46) | PARP1 | |
| SCHEMBL3817879 | 0.66 | MEN1 (0.61) | MEN1KMT2AAURKARPS6KB1AURKB |
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 |