Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | RORA | P35398 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | RORB | Q92753 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6294349 | 0.90 | PARP1 (0.52) | PARP1DAOHTR1ADRD2HTR2A | |
| SCHEMBL6028786 | 0.84 | PGR (0.60) | PARP1DAOHTR1ADRD2HTR2A | |
| SCHEMBL446902 | 0.84 | PARP1 (0.50) | PARP1DAOHTR1ADRD2HTR2A | |
| SCHEMBL29528989 | 0.84 | PGR (0.60) | PARP1DAOHTR1ADRD2HTR2A | |
| SCHEMBL10827376 | 0.84 | PARP1 (0.50) | PARP1DAOHTR1ADRD2HTR2A | |
| SCHEMBL11009779 | 0.84 | ALDH1A1 (0.60) | PARP1DAOHTR1ADRD2HTR2A | |
| SCHEMBL7650175 | 0.83 | PARP1 (0.50) | PARP1DAOHTR1ADRD2HTR2A | |
| SCHEMBL7305582 | 0.83 | HTR1A (0.50) | PARP1DAOHTR1ADRD2HTR2A | |
| SCHEMBL7298333 | 0.83 | ALDH1A1 (0.55) | PARP1DAOHTR1ADRD2HTR2A | |
| SCHEMBL7750879 | 0.83 | PGR (0.55) | PARP1DAOHTR1ADRD2HTR2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6872727-B1 | Polycyclic pyrimidine -2,4(1H,3H)-diones with functionalized alkyl residues at the 1- and/or 3-position(s); methods for their synthesis and pharmaceutical preparation | PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) | 2005-03-29 | — | — | US | disclosed |
| EP-1150964-B1 | POLYCYCLIC PYRIMIDINE-2,4(1H, 3H)-DIONE WITH FUNCTIONALIZED ALKYL RADICALS IN 1- AND/OR 3-POSITION, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS | IBFB GMBH PRIVATES INST FUER B (DE) | 2003-10-29 | — | — | EP | disclosed |
| EP-1150964-A2 | POLYCYCLIC PYRIMIDINE-2,4(1H, 3H)-DIONE WITH FUNCTIONALIZED ALKYL RADICALS IN 1- AND/OR 3-POSITION, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS | IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) | 2001-11-07 | — | — | EP | disclosed |
| WO-2001014344-A2 | POLYCYCLIC PYRIMIDINE-2,4(1H, 3H)-DIONE WITH FUNCTIONALIZED ALKYL RADICALS IN 1- AND/OR 3-POSITION, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL PREPARATIONS | IBFB GMBH PRIVATES INSTITUT FÜR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) | 2001-03-01 | — | — | WO | disclosed |