Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | PARP1 | P09874 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PDE9A | O76083 | 2/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4774152 | 0.94 | PARP1 (0.38) | HPGDPARP1ALDH1A1MAPTDHFR | |
| SCHEMBL4295752 | 0.91 | MEN1 (0.42) | HPGDPARP1ALDH1A1MAPTDHFR | |
| SCHEMBL4297801 | 0.80 | PDE9A (0.48) | HPGDALDH1A1MAPTDHFRKDM4E | |
| SCHEMBL4296187 | 0.80 | PDE9A (0.48) | HPGDALDH1A1MAPTDHFRKDM4E | |
| SCHEMBL4290696 | 0.79 | ALDH1A1 (0.38) | HPGDPARP1ALDH1A1MAPTDHFR | |
| SCHEMBL4292483 | 0.78 | PDE9A (0.36) | HPGDPARP1ALDH1A1DHFRKDM4E | |
| SCHEMBL4767017 | 0.76 | POLB (0.40) | HPGDPARP1ALDH1A1MAPTDHFR | |
| SCHEMBL4769038 | 0.74 | MEN1 (0.44) | HPGDPARP1ALDH1A1MAPTDHFR | |
| SCHEMBL4776971 | 0.73 | MEN1 (0.46) | HPGDPARP1ALDH1A1MAPTDHFR | |
| SCHEMBL4290740 | 0.72 | MEN1 (0.42) | HPGDALDH1A1MAPTDHFRKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2061470-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | Neurogen Corporation (US) | 2009-05-27 | — | — | EP | claimed |
| WO-2008024433-A2 | HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES | NEUROGEN CORPORATION (US) | 2008-02-28 | — | — | WO | claimed |