Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 7/20 | 0.57 |
| ▸ | CTSL | P07711 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.53 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.52 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.52 |
| ▸ | CDK4 | P11802 | 1/20 | 0.52 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.52 |
| ▸ | CCND1 | P24385 | 1/20 | 0.52 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.52 |
| ▸ | CDK2 | P24941 | 1/20 | 0.52 |
| ▸ | FLT3 | P36888 | 1/20 | 0.52 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.52 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.51 |
| ▸ | NT5E | P21589 | 2/20 | 0.51 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | HTR3A | P46098 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17150929 | 0.89 | KMT2A (0.52) | CDK1CTSLADORA3ADORA2AADORA1 | |
| SCHEMBL5193141 | 0.85 | CDK1 (0.78) | CDK1CTSLADORA3ADORA2AADORA1 | |
| SCHEMBL17144014 | 0.82 | ADORA3 (0.44) | ADORA3ADORA2AADORA1HTR2CHTR2B | |
| SCHEMBL17144336 | 0.81 | CDK1 (0.58) | CDK1CTSLADORA3CCNB2CCNE2 | |
| SCHEMBL27146868 | 0.81 | CDK1 (0.66) | CDK1CTSLCCNB2CCNE2CDK4 | |
| SCHEMBL17144396 | 0.80 | FLT3 (0.58) | CDK1CCNB2CCNE2CDK4CCNB1 | |
| SCHEMBL5197924 | 0.79 | CDK1 (0.60) | CDK1CTSLADORA3ADORA1CCNB2 | |
| SCHEMBL17144240 | 0.79 | CDK1 (0.62) | CDK1CTSLADORA3ADORA2AADORA1 | |
| SCHEMBL17144242 | 0.79 | CDK1 (0.62) | CDK1CTSLADORA3ADORA2AADORA1 | |
| SCHEMBL5194947 | 0.78 | CDK1 (0.59) | CDK1CTSLADORA3ADORA2AADORA1 |
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-2015151006-A1 | SUBSTITUTED PURINE COMPOUNDS AS BTK INHIBITORS | LUPIN LIMITED (IN) | 2015-10-08 | — | — | WO | disclosed |