Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.40 |
| ▸ | POLA1 | P09884 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | PI4KA | P42356 | 2/20 | 0.32 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.32 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.32 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.32 |
| ▸ | CDK1 | P06493 | 3/20 | 0.32 |
| ▸ | BRAF | P15056 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.32 |
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 SCHEMBL7836200 | 0.99 | PDPK1 (0.39) | PDPK1GDAPOLA1LMNAPI4KA | |
| SCHEMBL7830380 | 0.79 | ADRA1A (0.50) | PDPK1GDACDK1CYP2D6CCNB1 | |
| Hydrochloric Acid SCHEMBL7832458 | 0.78 | ADRA1A (0.49) | PDPK1GDAPI4KAPI4K2BPI4K2A | |
| SCHEMBL28984638 | 0.67 | PDPK1 (0.58) | PDPK1GDAPOLA1LMNAPI4KA | |
| SCHEMBL7821765 | 0.66 | CDC7 (0.46) | PDPK1LMNACDK1CDK2TSHR | |
| SCHEMBL7821652 | 0.66 | CDC7 (0.43) | LMNACYP1A2TSHRHSD17B10PKM | |
| SCHEMBL7822155 | 0.66 | LMNA (0.40) | LMNACYP1A2CYP2D6CDK2TSHR | |
| SCHEMBL17800816 | 0.65 | PDPK1 (0.54) | PDPK1GDAPOLA1LMNAPI4KA | |
| SCHEMBL28482150 | 0.65 | PDPK1 (0.54) | PDPK1GDAPOLA1LMNAPI4KA | |
| SCHEMBL3245638 | 0.64 | PDPK1 (0.53) | PDPK1GDALMNAPI4KAPI4K2B |
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 6 patents. 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 | claimed |
| EP-0802914-A1 | ARYL AND HETEROARYL PURINE COMPOUNDS | PHARMACIA & UPJOHN S.p.A. (IT) | 1997-10-29 | — | — | EP | claimed |
| WO-1997018212-A1 | ARYL AND HETEROARYL PURINE COMPOUNDS | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-05-22 | — | — | WO | claimed |
| EP-0802914-B1 | ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES | PHARMACIA & UPJOHN SPA (IT) | 2001-06-06 | — | — | EP | disclosed |
| EP-0802914-A1 | ARYL AND HETEROARYL PURINE COMPOUNDS | PHARMACIA & UPJOHN S.p.A. (IT) | 1997-10-29 | — | — | EP | disclosed |
| WO-1997018212-A1 | ARYL AND HETEROARYL PURINE COMPOUNDS | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-05-22 | — | — | WO | disclosed |