Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAT2A | P31153 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2233449 | 0.81 | MAT2A (0.42) | MAT2ANPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL4778102 | 0.80 | MAPK1 (0.36) | NPC1RAB9ASMN1; SMN2TSHRPDE4A | |
| SCHEMBL4772467 | 0.79 | MAT2A (0.40) | MAT2ANPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL4776782 | 0.78 | CDK1 (0.33) | MAT2ANPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL5769775 | 0.77 | NPSR1 (0.37) | MAT2ANPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL4768907 | 0.77 | SMN1; SMN2 (0.34) | MAT2ANPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL4260069 | 0.76 | AXL (0.36) | CYP1A2KDM4EALDH1A1GAAL3MBTL1 | |
| SCHEMBL4284448 | 0.76 | NPC1 (0.34) | NPC1RAB9ASMN1; SMN2LMNAHPGD | |
| SCHEMBL4256906 | 0.76 | BRD4 (0.40) | CYP2C19 | |
| SCHEMBL4768956 | 0.76 | SCN9A (0.34) | NPC1RAB9ASMN1; SMN2LMNAHPGD |
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-2094704-A2 | CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES | Neurogen Corporation (US) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008066664-A2 | CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES | NEUROGEN CORPORATION (US) | 2008-06-05 | — | — | WO | disclosed |