Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7829575 | 0.82 | MAOB (0.47) | CYP1A2CYP11B1CYP11B2METPDE3B | |
| SCHEMBL7830473 | 0.81 | PTK2 (0.44) | CYP1A2CYP11B1CYP11B2GLO1KDR | |
| SCHEMBL7821491 | 0.81 | CYP1A2 (0.40) | CYP1A2CYP11B1CYP11B2METPDE3B | |
| Hydrochloric Acid SCHEMBL7833558 | 0.81 | PTK2 (0.43) | CYP1A2CYP11B1CYP11B2GLO1KDR | |
| SCHEMBL7822712 | 0.80 | MAOB (0.39) | METPDE3BPDE3AHTR1ADRD2 | |
| SCHEMBL7833822 | 0.78 | NEK2 (0.44) | CYP1A2CYP11B1CYP11B2METPDE3B | |
| SCHEMBL8930219 | 0.78 | SMYD3 (0.41) | METPDE3BPDE3AHTR1ADRD2 | |
| SCHEMBL7821656 | 0.76 | MPO (0.37) | CYP11B1CYP11B2PARP1 | |
| SCHEMBL7833358 | 0.75 | EIF2AK2 (0.43) | CYP1A2CYP11B1CYP11B2PDE3BPDE3A | |
| SCHEMBL7822353 | 0.75 | BCL6 (0.57) | CYP1A2CYP11B1CYP11B2METKDR |
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 3 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-B1 | ARYL- AND HETEROARYL- PURINE AND PYRIDOPYRIMIDINE DERIVATIVES | PHARMACIA & UPJOHN SPA (IT) | 2001-06-06 | — | — | EP | disclosed |
| US-5965563-A | NOVEL PURINE DERIVATIVES SUCH AS N6-(2-OXINDOL-5-YL) ADENINE, METHODS OF SYNTHESIZING THEM; USE AS TYROSINE KINASE INHIBITORS | PHARMACIA & UPJOHN S.P.A. (IT) | 1999-10-12 | — | — | US | disclosed |