Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 5/20 | 0.42 |
| ▸ | CDK1 | P06493 | 5/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.42 |
| ▸ | GSK3A | P49840 | 5/20 | 0.42 |
| ▸ | GSK3B | P49841 | 5/20 | 0.42 |
| ▸ | CCNB3 | Q8WWL7 | 5/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | INSR | P06213 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26136040 | 0.78 | ADORA3 (0.41) | GPR84TDP1L3MBTL1 | |
| SCHEMBL1074604 | 0.72 | TDP1 (0.47) | TDP1L3MBTL1 | |
| SCHEMBL27818098 | 0.70 | TDP1 (0.45) | TDP1L3MBTL1 | |
| SCHEMBL4261079 | 0.70 | GSK3B (0.38) | CCNB2CDK1CCNB1GSK3AGSK3B | |
| SCHEMBL11851 | 0.67 | CTSV (0.54) | — | |
| SCHEMBL529185 | 0.66 | ADORA2A (0.39) | CCNB2CDK1CCNB1GSK3AGSK3B | |
| SCHEMBL28569682 | 0.66 | CCNB2 (0.40) | CCNB2CDK1CCNB1GSK3AGSK3B | |
| SCHEMBL30792956 | 0.66 | PDE4A (0.37) | CCNB2CDK1CCNB1GSK3AGSK3B | |
| SCHEMBL11131695 | 0.65 | GPR84 (0.37) | GPR84 | |
| SCHEMBL4046923 | 0.65 | PI4KA (0.51) | CCNB2CDK1CCNB1GSK3AGSK3B |
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 |
|---|---|---|---|---|---|---|---|
| US-6358959-B1 | FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA | MERCK & CO., INC. | 2002-03-19 | — | — | US | disclosed |
| WO-2000043374-A1 | POLYAZANAPHTHALENONE DERIVATIVES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-07-27 | — | — | WO | disclosed |