Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4769839 | 0.94 | NPC1 (0.33) | NPC1RAB9ALMNAHPGDTSHR | |
| SCHEMBL4776876 | 0.93 | NPC1 (0.33) | NPC1RAB9ALMNAHPGDTSHR | |
| SCHEMBL4529223 | 0.84 | HKDC1 (0.40) | NPC1RAB9ALMNAHPGDTSHR | |
| SCHEMBL4425849 | 0.79 | NPC1 (0.37) | NPC1RAB9ALMNAHPGDTSHR | |
| SCHEMBL4510793 | 0.79 | HKDC1 (0.39) | NPC1RAB9ALMNAHPGDTSHR | |
| SCHEMBL4521064 | 0.77 | HKDC1 (0.40) | NPC1RAB9ALMNAHPGDTSHR | |
| SCHEMBL4776782 | 0.77 | CDK1 (0.33) | NPC1RAB9ALMNAHPGDTSHR | |
| SCHEMBL4357095 | 0.76 | MAT2A (0.38) | NPC1RAB9ALMNAHPGDTSHR | |
| SCHEMBL4768907 | 0.76 | SMN1; SMN2 (0.34) | NPC1RAB9ALMNAHPGDTSHR | |
| SCHEMBL4521631 | 0.76 | TSHR (0.37) | NPC1LMNATSHRALDH1A1PDE10A |
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 |