Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLO1 | Q04760 | 3/20 | 0.43 |
| ▸ | AURKA | O14965 | 9/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.39 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.34 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | CDK7 | P50613 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | MAPK15 | Q8TD08 | 1/20 | 0.33 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30872003 | 1.00 | GLO1 (0.43) | GLO1AURKAAURKBJAK2ALK | |
| SCHEMBL27238032 | 0.89 | ALK (0.45) | ALKCDK7CDK9 | |
| SCHEMBL30426111 | 0.89 | ALK (0.45) | ALKCDK7CDK9 | |
| SCHEMBL29015706 | 0.88 | ALK (0.35) | GLO1AURKAALKSLC40A1L3MBTL1 | |
| SCHEMBL30872014 | 0.88 | ALK (0.35) | GLO1AURKAALKSLC40A1L3MBTL1 | |
| SCHEMBL30424889 | 0.87 | ALK (0.41) | JAK2ALKSYKKMT2ACDC7 | |
| SCHEMBL29015730 | 0.87 | ALK (0.41) | JAK2ALKSYKKMT2ACDC7 | |
| SCHEMBL29216425 | 0.86 | ULK1 (0.42) | AURKBALKCDC7CDK7CDK9 | |
| SCHEMBL30871971 | 0.86 | ULK1 (0.42) | AURKBALKCDC7CDK7CDK9 | |
| Trifluoroacetic Acid SCHEMBL30730912 | 0.81 | ALK (0.36) | JAK2ALKSYKKMT2ACDC7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117794914-A | Pyrimidine-2, 4-diamine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient | 韩国化学研究院 | 2024-03-29 | — | — | CN | disclosed |
| CN-116249690-A | Indoline compounds and derivatives as EGFR inhibitors | 百济神州有限公司 | 2023-06-09 | — | — | CN | disclosed |