Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK13 | O15264 | 2/20 | 0.47 |
| ▸ | RAF1 | P04049 | 2/20 | 0.47 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.47 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.47 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.47 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 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 | |
|---|---|---|---|---|
| SCHEMBL1665479 | 0.81 | TNKS (0.51) | MAPK13RAF1MAPK9MAPK12MAPK11 | |
| SCHEMBL14022279 | 0.79 | MAPK13 (0.42) | MAPK13RAF1MAPK9MAPK12MAPK11 | |
| SCHEMBL17224938 | 0.78 | TNKS (0.49) | MAPK13RAF1MAPK9MAPK12MAPK11 | |
| SCHEMBL3693391 | 0.78 | PI4KA (0.46) | MAPK13RAF1MAPK9MAPK12MAPK11 | |
| SCHEMBL26104359 | 0.78 | PTGES (0.43) | MAPK13RAF1MAPK9MAPK12MAPK11 | |
| SCHEMBL30361871 | 0.78 | PTGES (0.43) | MAPK13RAF1MAPK9MAPK12MAPK11 | |
| SCHEMBL26499870 | 0.74 | PI4KA (0.50) | MAPK13RAF1MAPK9MAPK12MAPK11 | |
| SCHEMBL4145718 | 0.74 | DHODH (0.57) | PARP1PIN1 | |
| SCHEMBL23171953 | 0.73 | TNKS (0.43) | MAPK13RAF1MAPK9MAPK12MAPK11 | |
| SCHEMBL4145561 | 0.73 | PKN1 (0.56) | RAF1TNKSPARP1TNKS2PIN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021138331-A2 | SMALL MOLECULE INHIBITORS OF ULK1 | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2021-07-08 | — | — | WO | disclosed |