Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 2/20 | 0.54 |
| ▸ | CDK1 | P06493 | 2/20 | 0.54 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.54 |
| ▸ | GSK3B | P49841 | 2/20 | 0.54 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.54 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.54 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.54 |
| ▸ | AHR | P35869 | 3/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.51 |
| ▸ | TDP2 | O95551 | 4/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | CASP9 | P55211 | 1/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.49 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.49 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.44 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.44 |
| ▸ | CMA1 | P23946 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4413360 | 0.91 | CCNB2 (0.54) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL30891502 | 0.81 | AHR (0.70) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL2825070 | 0.81 | AHR (0.70) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| Hydrochloric Acid SCHEMBL6391264 | 0.80 | AHR (0.68) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL22904532 | 0.78 | TDP2 (0.65) | TDP2CASP3CASP7CASP9CASP6 | |
| SCHEMBL260027 | 0.78 | AHR (0.61) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL30648196 | 0.78 | AHR (0.61) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL7717893 | 0.76 | AHR (0.59) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL23326172 | 0.75 | PDE3B (0.58) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL152963 | 0.74 | AHR (0.61) | AHRPDK2TDP2GRIA1CACNG8 |
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 |
|---|---|---|---|---|---|---|---|
| US-6958330-B1 | Polycyclic α-amino-ε-caprolactams and related compounds | ELAN PHARMACEUTICALS, INC. (US) | 2005-10-25 | — | — | US | disclosed |