Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 14/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 14/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 12/20 | 0.38 |
| ▸ | CDK2 | P24941 | 12/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 12/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | MGMT | P16455 | 4/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | POLA1 | P09884 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8401407 | 0.87 | CDK1 (0.40) | PDPK1GDACDK1CCNB1CCNA2 | |
| SCHEMBL8332954 | 0.80 | CDK1 (0.40) | PDPK1GDACDK1CCNB1CCNA2 | |
| SCHEMBL7165317 | 0.79 | PDPK1 (0.51) | PDPK1GDACDK1CCNB1CCNA2 | |
| SCHEMBL29478477 | 0.79 | PDPK1 (0.51) | PDPK1GDACDK1CCNB1CCNA2 | |
| SCHEMBL29708075 | 0.79 | PDPK1 (0.43) | PDPK1GDACDK1CCNB1CCNA2 | |
| SCHEMBL3837871 | 0.79 | PDPK1 (0.43) | PDPK1GDACDK1CCNB1CCNA2 | |
| SCHEMBL4364340 | 0.76 | PDPK1 (0.49) | PDPK1GDACDK1CCNB1CCNA2 | |
| SCHEMBL30416185 | 0.76 | PDPK1 (0.49) | PDPK1GDACDK1CCNB1CCNA2 | |
| SCHEMBL8400853 | 0.75 | PDPK1 (0.40) | PDPK1GDACDK1CCNB1CCNA2 | |
| SCHEMBL3839818 | 0.74 | PDPK1 (0.41) | PDPK1GDACDK1CCNB1CCNA2 |
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-5874577-A | Method for the preparing 9-12-(Diethoxyphosphonomethoxy)ethyl!adenine and analogues thereof | MEDICHEM RESEARCH, INC. (US) | 1999-02-23 | — | — | US | disclosed |