Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE9A | O76083 | 3/20 | 0.46 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 14/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL4290696 | 0.79 | ALDH1A1 (0.38) | PDE9APDE1CKDM4EALDH1A1HPGD | |
| SCHEMBL4290620 | 0.79 | PDE9A (0.45) | PDE9APDE1CKDM4EALDH1A1HPGD | |
| SCHEMBL4296187 | 0.76 | PDE9A (0.48) | PDE9APDE1CKDM4EALDH1A1HPGD | |
| SCHEMBL4297801 | 0.76 | PDE9A (0.48) | PDE9APDE1CKDM4EALDH1A1HPGD | |
| SCHEMBL4776139 | 0.71 | ALDH1A1 (0.41) | KDM4EALDH1A1HPGDHTT | |
| SCHEMBL4292483 | 0.70 | PDE9A (0.36) | PDE9APDE1CKDM4EALDH1A1HPGD | |
| SCHEMBL4768853 | 0.70 | ALDH1A1 (0.43) | KDM4EALDH1A1HPGDHTT | |
| SCHEMBL4772661 | 0.70 | ALDH1A1 (0.44) | KDM4EALDH1A1HPGDHTT | |
| SCHEMBL4774602 | 0.69 | ALDH1A1 (0.42) | KDM4EALDH1A1HPGDHTT | |
| SCHEMBL4774088 | 0.69 | CNR1 (0.37) | PDE9APDE1CKDM4EALDH1A1HPGD |
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 |