Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 2/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 2/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6545814 | 0.78 | FLT3 (0.54) | MAOACA12CA9CA1CA2 | |
| SCHEMBL1819421 | 0.76 | PIM1 (0.58) | CYP2A6PLAUHRH3KDM4EALDH1A1 | |
| SCHEMBL5230393 | 0.76 | CA12 (0.42) | PLAUPGRCHRM2CHRM4CHRM5 | |
| SCHEMBL5163230 | 0.76 | PIM1 (0.58) | CYP2A6GPR35MAOACA12CA9 | |
| SCHEMBL3259550 | 0.76 | KDM4E (0.54) | GPR35CA12CA9CA1CA2 | |
| SCHEMBL30497735 | 0.76 | CHEK2 (0.44) | CYP2A6NOS3NOS1NOS2PLAU | |
| SCHEMBL6240383 | 0.74 | KDM4E (0.58) | CYP2A6CA12CA9CA1CA2 | |
| SCHEMBL4200612 | 0.74 | FLT3 (0.52) | GPR35MAOACA12CA9CA1 | |
| SCHEMBL7384075 | 0.72 | ALDH1A1 (0.61) | CYP2A6NOS3NOS1NOS2PLAU | |
| SCHEMBL8713424 | 0.72 | HRH3 (0.48) | CYP2A6NOS3NOS1NOS2PLAU |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1519726-B1 | UTILIZATION OF HETEROARENE CARBOXAMIDE AS DOPAMINE-D3 LIGANDS FOR THE TREATMENT OF CNS DISEASES | SANOL ARZNEI SCHWARZ GMBH (DE) | 2007-02-21 | — | — | EP | disclosed |
| EP-1749529-A1 | Utilisation of heteroarene carboxamide as dopamine-D3 ligands for the treatment of CNS diseases | SCHWARZ PHARMA AG (DE) | 2007-02-07 | — | — | EP | disclosed |
| EP-1733727-A1 | Ferrocenecarboxamide derivatives for use as dopamine D3 ligands for the treatment of CNS disorders | SCHWARZ PHARMA AG (DE) | 2006-12-20 | — | — | EP | disclosed |
| EP-1519726-A1 | UTILIZATION OF HETEROARENE CARBOXAMIDE AS DOPAMINE-D3 LIGANDS FOR THE TREATMENT OF CNS DISEASES | SCHWARZ PHARMA AG (DE) | 2005-04-06 | — | — | EP | disclosed |
| WO-2004004729-A1 | UTILIZATION OF HETEROARENE CARBOXAMIDE AS DOPAMINE-D3 LIGANDS FOR THE TREATMENT OF CNS DISEASES | SCHWARZ PHARMA AG (DE) | 2004-01-15 | — | — | WO | disclosed |