Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | POLA1 | P09884 | 2/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 5/20 | 0.34 |
| ▸ | PNP | P00491 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 4/20 | 0.33 |
| ▸ | MGMT | P16455 | 3/20 | 0.33 |
| ▸ | CDK1 | P06493 | 3/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7822337 | 0.99 | PDPK1 (0.38) | PDPK1GDAPDE4APDE4BPDE4C | |
| SCHEMBL29557469 | 0.73 | PDE4A (0.64) | PDPK1GDAPDE4APDE4BPDE4C | |
| SCHEMBL104931 | 0.73 | PDE4A (0.64) | PDPK1GDAPDE4APDE4BPDE4C | |
| SCHEMBL7822681 | 0.72 | NEK2 (0.46) | PDPK1GDAPDE4APDE4BPDE4C | |
| SCHEMBL7833385 | 0.72 | MPO (0.45) | PDPK1GDAPDE4APDE4BPDE4C | |
| SCHEMBL448639 | 0.72 | CDC7 (0.47) | PDPK1GDAPDE4APDE4BPDE4C | |
| SCHEMBL288236 | 0.72 | BRAF (0.48) | PDPK1GDAPDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL7834487 | 0.71 | MPO (0.44) | PDPK1GDAPDE4APDE4BPDE4C | |
| SCHEMBL7840697 | 0.70 | CDC7 (0.57) | PDPK1PIN1CDK2MGMTCDK1 | |
| SCHEMBL1980128 | 0.70 | PDPK1 (0.45) | PDPK1GDAPDE4APDE4BPDE4C |
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-0802914-B1 | ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES | PHARMACIA & UPJOHN SPA (IT) | 2001-06-06 | — | — | EP | disclosed |