Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 1/20 | 0.59 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 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 | |
|---|---|---|---|---|
| SCHEMBL28083058 | 0.86 | TOP2A (0.49) | TOP2AGLO1KDM4EALDH1A1TGFBR1 | |
| SCHEMBL28203392 | 0.85 | TOP2A (0.48) | TOP2AGLO1KDM4EALDH1A1PDE3B | |
| SCHEMBL8087934 | 0.78 | TGFBR1 (0.65) | TOP2AKDM4EALDH1A1TGFBR1MAPK14 | |
| SCHEMBL2237236 | 0.78 | GLO1 (0.47) | TOP2AGLO1KDM4EALDH1A1GAA | |
| SCHEMBL22523304 | 0.77 | TOP2A (1.00) | TOP2AGLO1KDM4EALDH1A1CDK2 | |
| SCHEMBL17599154 | 0.77 | TGFBR1 (0.63) | TOP2AKDM4EALDH1A1TGFBR1MAPK14 | |
| SCHEMBL28915652 | 0.76 | GLO1 (0.56) | TOP2AGLO1KDM4EALDH1A1GAA | |
| SCHEMBL858198 | 0.74 | AURKB (0.57) | CDK2CDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL29946359 | 0.74 | AURKB (0.57) | CDK2CDK5CDK5R1CCNB2CDK1 | |
| SCHEMBL498344 | 0.73 | GLO1 (0.47) | GLO1KDM4EALDH1A1GAAGFER |
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 |
|---|---|---|---|---|---|---|---|
| EP-2161272-A1 | Phenanthrolines | BASF SE (DE) | 2010-03-10 | — | — | EP | disclosed |