Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PDE9A | O76083 | 2/20 | 0.37 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL4292483 | 0.91 | PDE9A (0.36) | ALDH1A1KDM4EHPGDPKMPDE9A | |
| SCHEMBL4295752 | 0.88 | MEN1 (0.42) | ALDH1A1KDM4EHPGDPKMPDE9A | |
| SCHEMBL4774602 | 0.85 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDPKMTDP1 | |
| SCHEMBL4776139 | 0.84 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDPKMTDP1 | |
| SCHEMBL4768853 | 0.83 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDPKMTDP1 | |
| SCHEMBL4774287 | 0.83 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDPKMTDP1 | |
| SCHEMBL4772661 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDPKMTDP1 | |
| SCHEMBL4290620 | 0.80 | PDE9A (0.45) | ALDH1A1KDM4EHPGDPKMPDE9A | |
| SCHEMBL4297747 | 0.79 | PDE9A (0.46) | ALDH1A1KDM4EHPGDPDE9APDE1C | |
| SCHEMBL4288221 | 0.79 | HPGD (0.37) | ALDH1A1KDM4EHPGDPDE9APDE1C |
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 |